3-[(2,3-dichlorophenoxy)-[(3S)-piperidin-3-yl]methyl]pyridine

C17H18Cl2N2O — CID 45268914

IUPAC3-[(2,3-dichlorophenoxy)-[(3S)-piperidin-3-yl]methyl]pyridine
SMILESClc1cccc(OC(c2cccnc2)[C@H]2CCCNC2)c1Cl
InChIInChI=1S/C17H18Cl2N2O/c18-14-6-1-7-15(16(14)19)22-17(12-4-2-8-20-10-12)13-5-3-9-21-11-13/h1-2,4,6-8,10,13,17,21H,3,5,9,11H2/t13-,17?/m0/s1
InChIKeyRILKVQPDTVTHBN-CWQZNGJJSA-N
MW337.25 g/mol
LogP4.51
Rot. Bonds4

About 3-[(2,3-dichlorophenoxy)-[(3S)-piperidin-3-yl]methyl]pyridine

3-[(2,3-dichlorophenoxy)-[(3S)-piperidin-3-yl]methyl]pyridine (PubChem CID 45268914) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 3-[(2,3-dichlorophenoxy)-[(3S)-piperidin-3-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[(2,3-dichlorophenoxy)-[(3S)-piperidin-3-yl]methyl]pyridine
PubChem CID45268914
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name3-[(2,3-dichlorophenoxy)-[(3S)-piperidin-3-yl]methyl]pyridine
SMILESClc1cccc(OC(c2cccnc2)[C@H]2CCCNC2)c1Cl
InChIInChI=1S/C17H18Cl2N2O/c18-14-6-1-7-15(16(14)19)22-17(12-4-2-8-20-10-12)13-5-3-9-21-11-13/h1-2,4,6-8,10,13,17,21H,3,5,9,11H2/t13-,17?/m0/s1
InChIKeyRILKVQPDTVTHBN-CWQZNGJJSA-N
XLogP4.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2,3-dichlorophenoxy)-[(3S)-piperidin-3-yl]methyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Chlorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44133853
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
2-[(1S)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263336
2-[(1R)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263337
2-[1-(3-Chlorophenyl)propoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263338
2-[1-(3-Chlorophenyl)-2,2,2-trifluoroethoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263339
3-[[4-[(3,4-Dichlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine
CID 134693742
7-[5-(2-Chlorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
CID 71450030
3-[[(3S)-3-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine
CID 155555548
4-(3,4-Dichlorophenyl)-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983579
3-(8-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yloxy)-N,N-diethylpropan-1-amine
CID 15983706

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dichlorophenoxy)-[(3S)-piperidin-3-yl]methyl]pyridine?
The IUPAC name of 3-[(2,3-dichlorophenoxy)-[(3S)-piperidin-3-yl]methyl]pyridine (CID 45268914) is 3-[(2,3-dichlorophenoxy)-[(3S)-piperidin-3-yl]methyl]pyridine.
What is the SMILES notation for 3-[(2,3-dichlorophenoxy)-[(3S)-piperidin-3-yl]methyl]pyridine?
The canonical SMILES for 3-[(2,3-dichlorophenoxy)-[(3S)-piperidin-3-yl]methyl]pyridine is Clc1cccc(OC(c2cccnc2)[C@H]2CCCNC2)c1Cl.
What is the InChIKey of 3-[(2,3-dichlorophenoxy)-[(3S)-piperidin-3-yl]methyl]pyridine?
The InChIKey is RILKVQPDTVTHBN-CWQZNGJJSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c18-14-6-1-7-15(16(14)19)22-17(12-4-2-8-20-10-12)13-5-3-9-21-11-13/h1-2,4,6-8,10,13,17,21H,3,5,9,11H2/t13-,17?/m0/s1.
What are the key properties of 3-[(2,3-dichlorophenoxy)-[(3S)-piperidin-3-yl]methyl]pyridine?
3-[(2,3-dichlorophenoxy)-[(3S)-piperidin-3-yl]methyl]pyridine has a molecular weight of 337.25 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dichlorophenoxy)-[(3S)-piperidin-3-yl]methyl]pyridine is sourced from PubChem (CID 45268914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).