1-(3-hydroxypropyl)-4-[(4-methylphenyl)methyl]piperidin-4-ol

C32H50N2O4 — CID 162213078

IUPAC1-(3-hydroxypropyl)-4-[(4-methylphenyl)methyl]piperidin-4-ol
SMILESCc1ccc(CC2(O)CCN(CCCO)CC2)cc1.Cc1ccc(CC2(O)CCN(CCCO)CC2)cc1
InChIInChI=1S/2C16H25NO2/c2*1-14-3-5-15(6-4-14)13-16(19)7-10-17(11-8-16)9-2-12-18/h2*3-6,18-19H,2,7-13H2,1H3
InChIKeyZTCNYJBIVVPLFR-UHFFFAOYSA-N
MW526.76 g/mol
LogP3.49
Rot. Bonds10

About 1-(3-hydroxypropyl)-4-[(4-methylphenyl)methyl]piperidin-4-ol

1-(3-hydroxypropyl)-4-[(4-methylphenyl)methyl]piperidin-4-ol (PubChem CID 162213078) has the molecular formula C32H50N2O4 and a molecular weight of 526.76 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-4-[(4-methylphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-4-[(4-methylphenyl)methyl]piperidin-4-ol
PubChem CID162213078
Molecular FormulaC32H50N2O4
Molecular Weight526.76 g/mol
Exact Mass526.38
IUPAC Name1-(3-hydroxypropyl)-4-[(4-methylphenyl)methyl]piperidin-4-ol
SMILESCc1ccc(CC2(O)CCN(CCCO)CC2)cc1.Cc1ccc(CC2(O)CCN(CCCO)CC2)cc1
InChIInChI=1S/2C16H25NO2/c2*1-14-3-5-15(6-4-14)13-16(19)7-10-17(11-8-16)9-2-12-18/h2*3-6,18-19H,2,7-13H2,1H3
InChIKeyZTCNYJBIVVPLFR-UHFFFAOYSA-N
XLogP3.49
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.76
LogP ≤ 53.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

Piperazine derivative, 10
CID 71463395
Piperazine derivative, 9
CID 71463396
Piperazine derivative, 11
CID 71463397
Piperazine derivative, 12
CID 71463398
Piperazine derivative, 22
CID 71463408
Piperazine derivative, 23
CID 71463409
1-[4-[Cyclohexylmethyl(methyl)amino]-3-phenyl-butyl]-4-(3-phenylpropyl)piperidin-4-ol
CID 489309
Cyclohexanol, 1-(p-(3-piperidinopropyl)phenethyl)-
CID 203650
Aryl alkanolamine derivative 1
CID 91884637
1,5-Diphenyl-3,7-di(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-ol
CID 1251120
(Z)-5-(4-methylphenyl)-5-[4-(1-methylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol
CID 138493126
1-[2-(4-Fluorophenyl)ethyl]-4-[(4-methylphenyl)methyl]piperidin-4-ol
CID 141871439

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-4-[(4-methylphenyl)methyl]piperidin-4-ol?
The IUPAC name of 1-(3-hydroxypropyl)-4-[(4-methylphenyl)methyl]piperidin-4-ol (CID 162213078) is 1-(3-hydroxypropyl)-4-[(4-methylphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-(3-hydroxypropyl)-4-[(4-methylphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-(3-hydroxypropyl)-4-[(4-methylphenyl)methyl]piperidin-4-ol is Cc1ccc(CC2(O)CCN(CCCO)CC2)cc1.Cc1ccc(CC2(O)CCN(CCCO)CC2)cc1.
What is the InChIKey of 1-(3-hydroxypropyl)-4-[(4-methylphenyl)methyl]piperidin-4-ol?
The InChIKey is ZTCNYJBIVVPLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H25NO2/c2*1-14-3-5-15(6-4-14)13-16(19)7-10-17(11-8-16)9-2-12-18/h2*3-6,18-19H,2,7-13H2,1H3.
What are the key properties of 1-(3-hydroxypropyl)-4-[(4-methylphenyl)methyl]piperidin-4-ol?
1-(3-hydroxypropyl)-4-[(4-methylphenyl)methyl]piperidin-4-ol has a molecular weight of 526.76 g/mol, XLogP of 3.49, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-4-[(4-methylphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 162213078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).