1-[[1-(2-phenylbutyl)piperidin-4-yl]methyl]piperidin-4-ol

C21H34N2O — CID 56662037

IUPAC1-[[1-(2-phenylbutyl)piperidin-4-yl]methyl]piperidin-4-ol
SMILESCCC(CN1CCC(CN2CCC(O)CC2)CC1)c1ccccc1
InChIInChI=1S/C21H34N2O/c1-2-19(20-6-4-3-5-7-20)17-23-12-8-18(9-13-23)16-22-14-10-21(24)11-15-22/h3-7,18-19,21,24H,2,8-17H2,1H3
InChIKeyPWWUESMWWLPHLU-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.35
Rot. Bonds6

About 1-[[1-(2-phenylbutyl)piperidin-4-yl]methyl]piperidin-4-ol

1-[[1-(2-phenylbutyl)piperidin-4-yl]methyl]piperidin-4-ol (PubChem CID 56662037) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is 1-[[1-(2-phenylbutyl)piperidin-4-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[1-(2-phenylbutyl)piperidin-4-yl]methyl]piperidin-4-ol
PubChem CID56662037
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC Name1-[[1-(2-phenylbutyl)piperidin-4-yl]methyl]piperidin-4-ol
SMILESCCC(CN1CCC(CN2CCC(O)CC2)CC1)c1ccccc1
InChIInChI=1S/C21H34N2O/c1-2-19(20-6-4-3-5-7-20)17-23-12-8-18(9-13-23)16-22-14-10-21(24)11-15-22/h3-7,18-19,21,24H,2,8-17H2,1H3
InChIKeyPWWUESMWWLPHLU-UHFFFAOYSA-N
XLogP3.35
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-bromo-2-phenylpropyl)piperidin-4-yl]methanol
CID 65016137
1-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]piperidin-4-ol
CID 67960796
1-(cyclopropylmethyl)piperidin-4-ol
CID 21428752
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
ethane;1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-ol;propane
CID 168901872
[[3-[(4-hydroxypiperidin-1-yl)methyl]cyclobutyl]-phenylmethyl] carbamate
CID 174664510
1-ethylpiperidin-4-ol;3-methyl-2-phenylpentanoic acid;hydrochloride
CID 21153862
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-phenylbutan-1-amine
CID 61441577
1-(3-amino-2-phenylpropyl)-N,N-dimethylpiperidin-4-amine
CID 43585763
4-(4-hydroxypiperidin-1-yl)-1,1-diphenylbutane-1,3-diol
CID 171986918
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(diethylamino)-2-phenylethanone
CID 56540097
1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol
CID 62943227

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-phenylbutyl)piperidin-4-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[1-(2-phenylbutyl)piperidin-4-yl]methyl]piperidin-4-ol (CID 56662037) is 1-[[1-(2-phenylbutyl)piperidin-4-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[1-(2-phenylbutyl)piperidin-4-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[1-(2-phenylbutyl)piperidin-4-yl]methyl]piperidin-4-ol is CCC(CN1CCC(CN2CCC(O)CC2)CC1)c1ccccc1.
What is the InChIKey of 1-[[1-(2-phenylbutyl)piperidin-4-yl]methyl]piperidin-4-ol?
The InChIKey is PWWUESMWWLPHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O/c1-2-19(20-6-4-3-5-7-20)17-23-12-8-18(9-13-23)16-22-14-10-21(24)11-15-22/h3-7,18-19,21,24H,2,8-17H2,1H3.
What are the key properties of 1-[[1-(2-phenylbutyl)piperidin-4-yl]methyl]piperidin-4-ol?
1-[[1-(2-phenylbutyl)piperidin-4-yl]methyl]piperidin-4-ol has a molecular weight of 330.52 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-phenylbutyl)piperidin-4-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 56662037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).