3-[(3-chlorophenoxy)-piperidin-4-ylmethyl]pyridine

C17H19ClN2O — CID 45271390

IUPAC3-[(3-chlorophenoxy)-piperidin-4-ylmethyl]pyridine
SMILESClc1cccc(OC(c2cccnc2)C2CCNCC2)c1
InChIInChI=1S/C17H19ClN2O/c18-15-4-1-5-16(11-15)21-17(13-6-9-19-10-7-13)14-3-2-8-20-12-14/h1-5,8,11-13,17,19H,6-7,9-10H2
InChIKeyRYZMJJMMTKGIGG-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.85
Rot. Bonds4

About 3-[(3-chlorophenoxy)-piperidin-4-ylmethyl]pyridine

3-[(3-chlorophenoxy)-piperidin-4-ylmethyl]pyridine (PubChem CID 45271390) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-[(3-chlorophenoxy)-piperidin-4-ylmethyl]pyridine.

Molecular Properties

Compound Name3-[(3-chlorophenoxy)-piperidin-4-ylmethyl]pyridine
PubChem CID45271390
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-[(3-chlorophenoxy)-piperidin-4-ylmethyl]pyridine
SMILESClc1cccc(OC(c2cccnc2)C2CCNCC2)c1
InChIInChI=1S/C17H19ClN2O/c18-15-4-1-5-16(11-15)21-17(13-6-9-19-10-7-13)14-3-2-8-20-12-14/h1-5,8,11-13,17,19H,6-7,9-10H2
InChIKeyRYZMJJMMTKGIGG-UHFFFAOYSA-N
XLogP3.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-((6-chloropyridin-3-yl)methoxy)-3-methoxybenzyl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 4719406
SBE13 hydrochloride
CID 11948807
2-Phenoxy-3-(piperidin-4-yl)pyridine
CID 44133490
2-(2-Methoxyphenoxy)-3-(piperidin-4-yl)pyridine
CID 44133674
2-(2-Fluorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44133851
2-(2-Chlorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44133853
2-chloro-3-pyridin-3-yl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 9928945
4-Phenyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983456
4-(2-Chlorophenyl)-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983836
US10155760, Example 238
CID 118419882
2-[(3-Chlorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263326
2-[(4-Chlorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263330

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenoxy)-piperidin-4-ylmethyl]pyridine?
The IUPAC name of 3-[(3-chlorophenoxy)-piperidin-4-ylmethyl]pyridine (CID 45271390) is 3-[(3-chlorophenoxy)-piperidin-4-ylmethyl]pyridine.
What is the SMILES notation for 3-[(3-chlorophenoxy)-piperidin-4-ylmethyl]pyridine?
The canonical SMILES for 3-[(3-chlorophenoxy)-piperidin-4-ylmethyl]pyridine is Clc1cccc(OC(c2cccnc2)C2CCNCC2)c1.
What is the InChIKey of 3-[(3-chlorophenoxy)-piperidin-4-ylmethyl]pyridine?
The InChIKey is RYZMJJMMTKGIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-15-4-1-5-16(11-15)21-17(13-6-9-19-10-7-13)14-3-2-8-20-12-14/h1-5,8,11-13,17,19H,6-7,9-10H2.
What are the key properties of 3-[(3-chlorophenoxy)-piperidin-4-ylmethyl]pyridine?
3-[(3-chlorophenoxy)-piperidin-4-ylmethyl]pyridine has a molecular weight of 302.81 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenoxy)-piperidin-4-ylmethyl]pyridine is sourced from PubChem (CID 45271390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).