3-[(2R)-1-(3-phenylsulfanylpropyl)piperidin-2-yl]pyridine

C19H24N2S — CID 40637351

IUPAC3-[(2R)-1-(3-phenylsulfanylpropyl)piperidin-2-yl]pyridine
SMILESc1ccc(SCCCN2CCCC[C@@H]2c2cccnc2)cc1
InChIInChI=1S/C19H24N2S/c1-2-9-18(10-3-1)22-15-7-14-21-13-5-4-11-19(21)17-8-6-12-20-16-17/h1-3,6,8-10,12,16,19H,4-5,7,11,13-15H2/t19-/m1/s1
InChIKeyOKQKJELGHSNSRH-LJQANCHMSA-N
MW312.48 g/mol
LogP4.79
Rot. Bonds6

About 3-[(2R)-1-(3-phenylsulfanylpropyl)piperidin-2-yl]pyridine

3-[(2R)-1-(3-phenylsulfanylpropyl)piperidin-2-yl]pyridine (PubChem CID 40637351) has the molecular formula C19H24N2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 3-[(2R)-1-(3-phenylsulfanylpropyl)piperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2R)-1-(3-phenylsulfanylpropyl)piperidin-2-yl]pyridine
PubChem CID40637351
Molecular FormulaC19H24N2S
Molecular Weight312.48 g/mol
Exact Mass312.17
IUPAC Name3-[(2R)-1-(3-phenylsulfanylpropyl)piperidin-2-yl]pyridine
SMILESc1ccc(SCCCN2CCCC[C@@H]2c2cccnc2)cc1
InChIInChI=1S/C19H24N2S/c1-2-9-18(10-3-1)22-15-7-14-21-13-5-4-11-19(21)17-8-6-12-20-16-17/h1-3,6,8-10,12,16,19H,4-5,7,11,13-15H2/t19-/m1/s1
InChIKeyOKQKJELGHSNSRH-LJQANCHMSA-N
XLogP4.79
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride
CID 171315964
3-[(2S)-1-[(3S)-3-phenylbutyl]piperidin-2-yl]pyridine
CID 124758484
3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine
CID 91294184
3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine
CID 59533117
3-[(2S)-1-[3-(4-chloronaphthalen-1-yl)oxypropyl]piperidin-2-yl]pyridine
CID 40807655
1-methyl-4-[3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine
CID 15171669
N-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanamine
CID 176918761
N-oxido-N-[3-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]butoxy]phenyl]hydroxylamine
CID 163152900
(1S)-1-phenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol
CID 11871008
diethyl 2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl phosphate
CID 7069814
(2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol
CID 6540981
3-[(2R)-1-[4-(3-nitrophenoxy)butyl]piperidin-2-yl]pyridine
CID 40637291

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-(3-phenylsulfanylpropyl)piperidin-2-yl]pyridine?
The IUPAC name of 3-[(2R)-1-(3-phenylsulfanylpropyl)piperidin-2-yl]pyridine (CID 40637351) is 3-[(2R)-1-(3-phenylsulfanylpropyl)piperidin-2-yl]pyridine.
What is the SMILES notation for 3-[(2R)-1-(3-phenylsulfanylpropyl)piperidin-2-yl]pyridine?
The canonical SMILES for 3-[(2R)-1-(3-phenylsulfanylpropyl)piperidin-2-yl]pyridine is c1ccc(SCCCN2CCCC[C@@H]2c2cccnc2)cc1.
What is the InChIKey of 3-[(2R)-1-(3-phenylsulfanylpropyl)piperidin-2-yl]pyridine?
The InChIKey is OKQKJELGHSNSRH-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24N2S/c1-2-9-18(10-3-1)22-15-7-14-21-13-5-4-11-19(21)17-8-6-12-20-16-17/h1-3,6,8-10,12,16,19H,4-5,7,11,13-15H2/t19-/m1/s1.
What are the key properties of 3-[(2R)-1-(3-phenylsulfanylpropyl)piperidin-2-yl]pyridine?
3-[(2R)-1-(3-phenylsulfanylpropyl)piperidin-2-yl]pyridine has a molecular weight of 312.48 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-(3-phenylsulfanylpropyl)piperidin-2-yl]pyridine is sourced from PubChem (CID 40637351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).