1-Benzyl-3-piperidone hydrochloride

• CAS: 50606-58-1
• Catalog Number: ACM50606581
• Category: Other
• Molecular Weight: 225.72
• Molecular Formula: C₁₂H₁₅NO?HCl
• Synonyms: ZINC00119573, CID3527570, 50606-58-1
• IUPAC Name: 1-(phenylmethyl)piperidin-1-ium-3-one
• Canonical SMILES: C1CC(=O)CN(C1)CC2=CC=CC=C2.Cl
• InChI Key: BBQQULRBTOMLTC-UHFFFAOYSA-O
• Boiling Point: 294.6ºC at 760 mmHg
• Melting Point: 170-176ºC
• Flash Point: 123.3ºC
• Appearance: almost white crystals
• EC Number: 256-646-0
• Exact Mass: 243.10300
• Hazard Statements: Xn
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Safety Description: S22-S24/25
• Stability: Has not been fully evaluated.
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 1-Benzyl-3-piperidone hydrochloride?

The molecular formula of 1-Benzyl-3-piperidone hydrochloride is C12H16ClNO.

What is the molecular weight of 1-Benzyl-3-piperidone hydrochloride?

The molecular weight of 1-Benzyl-3-piperidone hydrochloride is 225.71 g/mol.

What is the IUPAC name of 1-Benzyl-3-piperidone hydrochloride?

The IUPAC name of 1-Benzyl-3-piperidone hydrochloride is 1-benzylpiperidin-3-one;hydrochloride.

What is the InChlKey of 1-Benzyl-3-piperidone hydrochloride?

The InChlKey of 1-Benzyl-3-piperidone hydrochloride is OVWSFXNSJDMRPV-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in 1-Benzyl-3-piperidone hydrochloride?

There is 1 hydrogen bond donor count in 1-Benzyl-3-piperidone hydrochloride.

What is the exact mass of 1-Benzyl-3-piperidone hydrochloride?

The exact mass of 1-Benzyl-3-piperidone hydrochloride is 225.0920418 g/mol.

How many rotatable bond counts are there in 1-Benzyl-3-piperidone hydrochloride?

There are 2 rotatable bond counts in 1-Benzyl-3-piperidone hydrochloride.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the topological polar surface area of 1-Benzyl-3-piperidone hydrochloride?

The topological polar surface area is 20.3Ų in 1-Benzyl-3-piperidone hydrochloride.

When was 1-Benzyl-3-piperidone hydrochloride last modified?

1-Benzyl-3-piperidone hydrochloride was last modified on 2023-12-02.