1-(4-phenylpiperidin-1-yl)-3-piperidin-1-ylpropan-2-ol

C19H30N2O — CID 3030548

IUPAC1-(4-phenylpiperidin-1-yl)-3-piperidin-1-ylpropan-2-ol
SMILESOC(CN1CCCCC1)CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H30N2O/c22-19(15-20-11-5-2-6-12-20)16-21-13-9-18(10-14-21)17-7-3-1-4-8-17/h1,3-4,7-8,18-19,22H,2,5-6,9-16H2
InChIKeyBNHYXGSNXKRDDZ-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.71
Rot. Bonds5

About 1-(4-phenylpiperidin-1-yl)-3-piperidin-1-ylpropan-2-ol

1-(4-phenylpiperidin-1-yl)-3-piperidin-1-ylpropan-2-ol (PubChem CID 3030548) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-(4-phenylpiperidin-1-yl)-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(4-phenylpiperidin-1-yl)-3-piperidin-1-ylpropan-2-ol
PubChem CID3030548
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-(4-phenylpiperidin-1-yl)-3-piperidin-1-ylpropan-2-ol
SMILESOC(CN1CCCCC1)CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H30N2O/c22-19(15-20-11-5-2-6-12-20)16-21-13-9-18(10-14-21)17-7-3-1-4-8-17/h1,3-4,7-8,18-19,22H,2,5-6,9-16H2
InChIKeyBNHYXGSNXKRDDZ-UHFFFAOYSA-N
XLogP2.71
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[12-[(2S)-2-hydroxy-3-[(3R)-3-phenylpyrrolidin-1-yl]propyl]-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 124770147
3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol
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1-[1-(azepan-1-yl)-2-(3-phenylpyrrolidin-1-yl)ethyl]azepane
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(1R)-1-(4-bromophenyl)-2-(4-phenylpiperidin-1-yl)ethanol
CID 15048614
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylpiperidin-1-yl)propan-2-ol
CID 175811247
4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol
CID 143402498
1-(4-phenylpiperidin-1-yl)azepane
CID 67304390
4-phenyl-1-piperidin-1-ylbutan-2-ol
CID 57323966
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 94824860
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
1-cyclohexyl-N,N-dimethyl-3-(4-phenylpiperidin-1-yl)propan-2-amine;ethane
CID 91270011
trans-(1S,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 70691042

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperidin-1-yl)-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-(4-phenylpiperidin-1-yl)-3-piperidin-1-ylpropan-2-ol (CID 3030548) is 1-(4-phenylpiperidin-1-yl)-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(4-phenylpiperidin-1-yl)-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(4-phenylpiperidin-1-yl)-3-piperidin-1-ylpropan-2-ol is OC(CN1CCCCC1)CN1CCC(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylpiperidin-1-yl)-3-piperidin-1-ylpropan-2-ol?
The InChIKey is BNHYXGSNXKRDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c22-19(15-20-11-5-2-6-12-20)16-21-13-9-18(10-14-21)17-7-3-1-4-8-17/h1,3-4,7-8,18-19,22H,2,5-6,9-16H2.
What are the key properties of 1-(4-phenylpiperidin-1-yl)-3-piperidin-1-ylpropan-2-ol?
1-(4-phenylpiperidin-1-yl)-3-piperidin-1-ylpropan-2-ol has a molecular weight of 302.46 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperidin-1-yl)-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 3030548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).