3-[(2S)-1-[(3S)-3-phenylbutyl]piperidin-2-yl]pyridine

C20H26N2 — CID 124758484

IUPAC3-[(2S)-1-[(3S)-3-phenylbutyl]piperidin-2-yl]pyridine
SMILESC[C@@H](CCN1CCCC[C@H]1c1cccnc1)c1ccccc1
InChIInChI=1S/C20H26N2/c1-17(18-8-3-2-4-9-18)12-15-22-14-6-5-11-20(22)19-10-7-13-21-16-19/h2-4,7-10,13,16-17,20H,5-6,11-12,14-15H2,1H3/t17-,20-/m0/s1
InChIKeyYUWXDQSNYTUSNB-PXNSSMCTSA-N
MW294.44 g/mol
LogP4.80
Rot. Bonds5

About 3-[(2S)-1-[(3S)-3-phenylbutyl]piperidin-2-yl]pyridine

3-[(2S)-1-[(3S)-3-phenylbutyl]piperidin-2-yl]pyridine (PubChem CID 124758484) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-[(2S)-1-[(3S)-3-phenylbutyl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2S)-1-[(3S)-3-phenylbutyl]piperidin-2-yl]pyridine
PubChem CID124758484
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name3-[(2S)-1-[(3S)-3-phenylbutyl]piperidin-2-yl]pyridine
SMILESC[C@@H](CCN1CCCC[C@H]1c1cccnc1)c1ccccc1
InChIInChI=1S/C20H26N2/c1-17(18-8-3-2-4-9-18)12-15-22-14-6-5-11-20(22)19-10-7-13-21-16-19/h2-4,7-10,13,16-17,20H,5-6,11-12,14-15H2,1H3/t17-,20-/m0/s1
InChIKeyYUWXDQSNYTUSNB-PXNSSMCTSA-N
XLogP4.80
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2R)-1-(3-phenylsulfanylpropyl)piperidin-2-yl]pyridine
CID 40637351
(2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol
CID 6540981
3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride
CID 171315964
3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine
CID 91294184
(1S)-1-phenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol
CID 11871008
N-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanamine
CID 176918761
1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-2-ol
CID 67495346
3-[(2R)-1-[(1S)-1-phenylethyl]pyrrolidin-2-yl]pyridine
CID 101170650
3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine
CID 59533117
1-(3-phenylbutyl)piperidine-2-carboxylic acid
CID 65054037
1-methyl-4-[3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine
CID 15171669
diethyl 2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl phosphate
CID 7069814

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-[(3S)-3-phenylbutyl]piperidin-2-yl]pyridine?
The IUPAC name of 3-[(2S)-1-[(3S)-3-phenylbutyl]piperidin-2-yl]pyridine (CID 124758484) is 3-[(2S)-1-[(3S)-3-phenylbutyl]piperidin-2-yl]pyridine.
What is the SMILES notation for 3-[(2S)-1-[(3S)-3-phenylbutyl]piperidin-2-yl]pyridine?
The canonical SMILES for 3-[(2S)-1-[(3S)-3-phenylbutyl]piperidin-2-yl]pyridine is C[C@@H](CCN1CCCC[C@H]1c1cccnc1)c1ccccc1.
What is the InChIKey of 3-[(2S)-1-[(3S)-3-phenylbutyl]piperidin-2-yl]pyridine?
The InChIKey is YUWXDQSNYTUSNB-PXNSSMCTSA-N. The full InChI is InChI=1S/C20H26N2/c1-17(18-8-3-2-4-9-18)12-15-22-14-6-5-11-20(22)19-10-7-13-21-16-19/h2-4,7-10,13,16-17,20H,5-6,11-12,14-15H2,1H3/t17-,20-/m0/s1.
What are the key properties of 3-[(2S)-1-[(3S)-3-phenylbutyl]piperidin-2-yl]pyridine?
3-[(2S)-1-[(3S)-3-phenylbutyl]piperidin-2-yl]pyridine has a molecular weight of 294.44 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-[(3S)-3-phenylbutyl]piperidin-2-yl]pyridine is sourced from PubChem (CID 124758484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).