(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-ol

C18H28N2O — CID 7047301

IUPAC(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-ol
SMILESO[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C18H28N2O/c21-18-7-4-11-20(15-18)17-9-13-19(14-10-17)12-8-16-5-2-1-3-6-16/h1-3,5-6,17-18,21H,4,7-15H2/t18-/m0/s1
InChIKeySZVSQICNJKOEAI-SFHVURJKSA-N
MW288.43 g/mol
LogP2.15
Rot. Bonds4

About (3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-ol

(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-ol (PubChem CID 7047301) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is (3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-ol
PubChem CID7047301
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-ol
SMILESO[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C18H28N2O/c21-18-7-4-11-20(15-18)17-9-13-19(14-10-17)12-8-16-5-2-1-3-6-16/h1-3,5-6,17-18,21H,4,7-15H2/t18-/m0/s1
InChIKeySZVSQICNJKOEAI-SFHVURJKSA-N
XLogP2.15
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine
CID 7047234
(4-hydroxypiperidin-1-yl)-[(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95554424
(3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25298624
(4-methylpiperidin-1-yl)-[(3R)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 26329649
(3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 26458414
N-(2-amino-2-oxoethyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56868255
N-(2-methoxyethyl)-N-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56863904
N-(3-aminopropyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56876392
methyl 2-[[1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carbonyl]amino]acetate
CID 45240399
(3R)-N-(1-hydroxy-2-methylpropan-2-yl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95554851
(3R)-N-[2-(methylamino)-2-oxoethyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95402897
(3R)-N-(4-aminocyclohexyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 98260152

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-ol?
The IUPAC name of (3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-ol (CID 7047301) is (3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-ol is O[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1.
What is the InChIKey of (3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-ol?
The InChIKey is SZVSQICNJKOEAI-SFHVURJKSA-N. The full InChI is InChI=1S/C18H28N2O/c21-18-7-4-11-20(15-18)17-9-13-19(14-10-17)12-8-16-5-2-1-3-6-16/h1-3,5-6,17-18,21H,4,7-15H2/t18-/m0/s1.
What are the key properties of (3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-ol?
(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-ol has a molecular weight of 288.43 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 7047301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).