3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine

C17H18Cl2N2 — CID 40501419

IUPAC3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine
SMILESClc1cccc(CN2CCCC[C@@H]2c2cccnc2)c1Cl
InChIInChI=1S/C17H18Cl2N2/c18-15-7-3-5-14(17(15)19)12-21-10-2-1-8-16(21)13-6-4-9-20-11-13/h3-7,9,11,16H,1-2,8,10,12H2/t16-/m1/s1
InChIKeyACIHYVRCJFSJLI-MRXNPFEDSA-N
MW321.25 g/mol
LogP5.12
Rot. Bonds3

About 3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine

3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine (PubChem CID 40501419) has the molecular formula C17H18Cl2N2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine
PubChem CID40501419
Molecular FormulaC17H18Cl2N2
Molecular Weight321.25 g/mol
Exact Mass320.08
IUPAC Name3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine
SMILESClc1cccc(CN2CCCC[C@@H]2c2cccnc2)c1Cl
InChIInChI=1S/C17H18Cl2N2/c18-15-7-3-5-14(17(15)19)12-21-10-2-1-8-16(21)13-6-4-9-20-11-13/h3-7,9,11,16H,1-2,8,10,12H2/t16-/m1/s1
InChIKeyACIHYVRCJFSJLI-MRXNPFEDSA-N
XLogP5.12
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.25
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
CID 872932
3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872916
3-[(2S)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 2254096
3-[(2R)-1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 95880993
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
2,4-diiodo-6-[(2-pyridin-3-ylpiperidin-1-yl)methyl]phenol
CID 2857406
3-[(2S)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]pyridine
CID 40533269
6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1H-pyridin-2-one
CID 171674206
3-[(2S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-2-yl]pyridine
CID 838789
2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine
CID 99954193
3-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 77085482
(2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol
CID 6540981

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine?
The IUPAC name of 3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine (CID 40501419) is 3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine.
What is the SMILES notation for 3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine?
The canonical SMILES for 3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine is Clc1cccc(CN2CCCC[C@@H]2c2cccnc2)c1Cl.
What is the InChIKey of 3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine?
The InChIKey is ACIHYVRCJFSJLI-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18Cl2N2/c18-15-7-3-5-14(17(15)19)12-21-10-2-1-8-16(21)13-6-4-9-20-11-13/h3-7,9,11,16H,1-2,8,10,12H2/t16-/m1/s1.
What are the key properties of 3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine?
3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine has a molecular weight of 321.25 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine is sourced from PubChem (CID 40501419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).