[(3R)-4-anilino-1-(2-phenylethyl)piperidin-3-yl]methanol

C20H26N2O — CID 166659178

IUPAC[(3R)-4-anilino-1-(2-phenylethyl)piperidin-3-yl]methanol
SMILESOC[C@@H]1CN(CCc2ccccc2)CCC1Nc1ccccc1
InChIInChI=1S/C20H26N2O/c23-16-18-15-22(13-11-17-7-3-1-4-8-17)14-12-20(18)21-19-9-5-2-6-10-19/h1-10,18,20-21,23H,11-16H2/t18-,20?/m0/s1
InChIKeyLFULYUUDNPQYKQ-LROBGIAVSA-N
MW310.44 g/mol
LogP3.02
Rot. Bonds6

About [(3R)-4-anilino-1-(2-phenylethyl)piperidin-3-yl]methanol

[(3R)-4-anilino-1-(2-phenylethyl)piperidin-3-yl]methanol (PubChem CID 166659178) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is [(3R)-4-anilino-1-(2-phenylethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-4-anilino-1-(2-phenylethyl)piperidin-3-yl]methanol
PubChem CID166659178
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name[(3R)-4-anilino-1-(2-phenylethyl)piperidin-3-yl]methanol
SMILESOC[C@@H]1CN(CCc2ccccc2)CCC1Nc1ccccc1
InChIInChI=1S/C20H26N2O/c23-16-18-15-22(13-11-17-7-3-1-4-8-17)14-12-20(18)21-19-9-5-2-6-10-19/h1-10,18,20-21,23H,11-16H2/t18-,20?/m0/s1
InChIKeyLFULYUUDNPQYKQ-LROBGIAVSA-N
XLogP3.02
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R,4R)-4-hydroxy-1-(2-phenylethyl)piperidin-3-yl]-N-phenylpropanamide
CID 124841956
[(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol
CID 129426999
2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 61212508
1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819
N-(3-methylphenyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 61211943
(2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol
CID 114986909
1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid
CID 115918716
N-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 167098946
6-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]hexan-1-ol
CID 103922220
(3R)-N-phenyl-1-(2-pyridin-4-ylethyl)piperidin-3-amine
CID 124590956
1,1-dimethyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]hydrazine
CID 83004992
[(3S)-1-(4-phenylbutyl)pyrrolidin-3-yl]methanol
CID 129380566

Frequently Asked Questions

What is the IUPAC name of [(3R)-4-anilino-1-(2-phenylethyl)piperidin-3-yl]methanol?
The IUPAC name of [(3R)-4-anilino-1-(2-phenylethyl)piperidin-3-yl]methanol (CID 166659178) is [(3R)-4-anilino-1-(2-phenylethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-4-anilino-1-(2-phenylethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-4-anilino-1-(2-phenylethyl)piperidin-3-yl]methanol is OC[C@@H]1CN(CCc2ccccc2)CCC1Nc1ccccc1.
What is the InChIKey of [(3R)-4-anilino-1-(2-phenylethyl)piperidin-3-yl]methanol?
The InChIKey is LFULYUUDNPQYKQ-LROBGIAVSA-N. The full InChI is InChI=1S/C20H26N2O/c23-16-18-15-22(13-11-17-7-3-1-4-8-17)14-12-20(18)21-19-9-5-2-6-10-19/h1-10,18,20-21,23H,11-16H2/t18-,20?/m0/s1.
What are the key properties of [(3R)-4-anilino-1-(2-phenylethyl)piperidin-3-yl]methanol?
[(3R)-4-anilino-1-(2-phenylethyl)piperidin-3-yl]methanol has a molecular weight of 310.44 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-anilino-1-(2-phenylethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 166659178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).