4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-ol

C29H35NO2 — CID 19937428

IUPAC4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-ol
SMILESCc1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H35NO2/c1-23-14-16-24(17-15-23)28(31)13-8-20-30-21-18-27(19-22-30)29(32,25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-7,9-12,14-17,27-28,31-32H,8,13,18-22H2,1H3
InChIKeyRFFMHTMETSZPCX-UHFFFAOYSA-N
MW429.60 g/mol
LogP5.46
Rot. Bonds8

About 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-ol

4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-ol (PubChem CID 19937428) has the molecular formula C29H35NO2 and a molecular weight of 429.60 g/mol. Its IUPAC name is 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-ol
PubChem CID19937428
Molecular FormulaC29H35NO2
Molecular Weight429.60 g/mol
Exact Mass429.27
IUPAC Name4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-ol
SMILESCc1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H35NO2/c1-23-14-16-24(17-15-23)28(31)13-8-20-30-21-18-27(19-22-30)29(32,25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-7,9-12,14-17,27-28,31-32H,8,13,18-22H2,1H3
InChIKeyRFFMHTMETSZPCX-UHFFFAOYSA-N
XLogP5.46
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.60
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Fexofenadine
CID 3348
Terfenadine
CID 5405
Trihexyphenidyl
CID 5572
Pridinol
CID 4904
Fexofenadine Hydrochloride
CID 63002
Trihexyphenidyl Hydrochloride
CID 66007
Diphenidol
CID 3055
Diphenidol Hydrochloride
CID 66266
Glemanserin
CID 71781
Danitracen
CID 35758
Lobelanidine
CID 442646
Terfenadine, (S)-
CID 6604035

Frequently Asked Questions

What is the IUPAC name of 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-ol?
The IUPAC name of 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-ol (CID 19937428) is 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-ol.
What is the SMILES notation for 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-ol?
The canonical SMILES for 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-ol is Cc1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-ol?
The InChIKey is RFFMHTMETSZPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO2/c1-23-14-16-24(17-15-23)28(31)13-8-20-30-21-18-27(19-22-30)29(32,25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-7,9-12,14-17,27-28,31-32H,8,13,18-22H2,1H3.
What are the key properties of 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-ol?
4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-ol has a molecular weight of 429.60 g/mol, XLogP of 5.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-methylphenyl)butan-1-ol is sourced from PubChem (CID 19937428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).