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Structure

Cyclopropyl 3-(piperidinomethyl)phenyl ketone

CAS
898793-66-3
Catalog Number
ACM898793663
Category
Other Products
Molecular Weight
243.34
Molecular Formula
C16H21NO

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Specification

Synonyms
CYCLOPROPYL 3-(PIPERIDINOMETHYL)PHENYL KETONE
IUPAC Name
cyclopropyl-[3-(piperidin-1-ylmethyl)phenyl]methanone
Canonical SMILES
C1CCN(CC1)CC2=CC=CC(=C2)C(=O)C3CC3
InChI Key
QHXWDMBQYVMWDA-UHFFFAOYSA-N
Boiling Point
369.2ºC at 760 mmHg
Flash Point
135.3ºC
Density
1.123g/cm³
Exact Mass
243.16200
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Cyclopropyl 3-(piperidinomethyl)phenyl ketone?

The molecular formula is C16H21NO.

When was Cyclopropyl 3-(piperidinomethyl)phenyl ketone created and last modified?

It was created on 2008-02-29 and last modified on 2023-12-30.

What is the IUPAC name of Cyclopropyl 3-(piperidinomethyl)phenyl ketone?

The IUPAC name is cyclopropyl-[3-(piperidin-1-ylmethyl)phenyl]methanone.

What is the InChI of Cyclopropyl 3-(piperidinomethyl)phenyl ketone?

The InChI is InChI=1S/C16H21NO/c18-16(14-7-8-14)15-6-4-5-13(11-15)12-17-9-2-1-3-10-17/h4-6,11,14H,1-3,7-10,12H2.

What is the Canonical SMILES of Cyclopropyl 3-(piperidinomethyl)phenyl ketone?

The Canonical SMILES is C1CCN(CC1)CC2=CC(=CC=C2)C(=O)C3CC3.

What is the molecular weight of Cyclopropyl 3-(piperidinomethyl)phenyl ketone?

The molecular weight is 243.34 g/mol.

How many Hydrogen Bond Acceptor Count does Cyclopropyl 3-(piperidinomethyl)phenyl ketone have?

It has 2 Hydrogen Bond Acceptor Count.

What is the exact mass of Cyclopropyl 3-(piperidinomethyl)phenyl ketone?

The exact mass is 243.162314293 g/mol.

How many Rotatable Bond Count does Cyclopropyl 3-(piperidinomethyl)phenyl ketone have?

It has 4 Rotatable Bond Count.

Is Cyclopropyl 3-(piperidinomethyl)phenyl ketone a canonicalized compound?

Yes, it is a canonicalized compound.

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