2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propyl-propan-2-ylamino]-4-methylphenol

C31H40N2O2 — CID 10254232

IUPAC2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propyl-propan-2-ylamino]-4-methylphenol
SMILESCc1ccc(O)c(N(CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C(C)C)c1
InChIInChI=1S/C31H40N2O2/c1-24(2)33(29-23-25(3)15-16-30(29)34)20-10-19-32-21-17-28(18-22-32)31(35,26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-16,23-24,28,34-35H,10,17-22H2,1-3H3
InChIKeyCVRPOPFQVQCUBG-UHFFFAOYSA-N
MW472.67 g/mol
LogP5.95
Rot. Bonds9

About 2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propyl-propan-2-ylamino]-4-methylphenol

2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propyl-propan-2-ylamino]-4-methylphenol (PubChem CID 10254232) has the molecular formula C31H40N2O2 and a molecular weight of 472.67 g/mol. Its IUPAC name is 2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propyl-propan-2-ylamino]-4-methylphenol.

Molecular Properties

Compound Name2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propyl-propan-2-ylamino]-4-methylphenol
PubChem CID10254232
Molecular FormulaC31H40N2O2
Molecular Weight472.67 g/mol
Exact Mass472.31
IUPAC Name2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propyl-propan-2-ylamino]-4-methylphenol
SMILESCc1ccc(O)c(N(CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C(C)C)c1
InChIInChI=1S/C31H40N2O2/c1-24(2)33(29-23-25(3)15-16-30(29)34)20-10-19-32-21-17-28(18-22-32)31(35,26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-16,23-24,28,34-35H,10,17-22H2,1-3H3
InChIKeyCVRPOPFQVQCUBG-UHFFFAOYSA-N
XLogP5.95
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.67
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propyl-propan-2-ylamino]-4-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10934303, Example 20
CID 137348774
2-(4-Benzhydrylpiperazin-1-yl)phenol
CID 2406292
2-(4-Benzylpiperazin-1-yl)phenol
CID 8529065
N-(2-hydroxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 12741880
2-(dimethylamino)-4-[(E)-2-[3-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]phenyl]ethenyl]phenol
CID 24786219
US10934303, Example 28
CID 138493001
4-[(E)-5-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpent-1-enyl]phenol
CID 138493127
2-[3-[4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl]propylamino]-4-methylphenol
CID 9955484
2-[3-(4-Benzhydryloxypiperidin-1-yl)propylamino]-4-methylphenol
CID 9980138
2-[3-[4-[Bis(4-chlorophenyl)methyl]piperazin-1-yl]propyl-propan-2-ylamino]-4-methylphenol
CID 10256328
2-[3-(4-Benzhydrylpiperazino)propyl]amino-4-methylphenol
CID 10319686
2-[3-[4-[(4-Chlorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]propylamino]-4-methylphenol
CID 10322233

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propyl-propan-2-ylamino]-4-methylphenol?
The IUPAC name of 2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propyl-propan-2-ylamino]-4-methylphenol (CID 10254232) is 2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propyl-propan-2-ylamino]-4-methylphenol.
What is the SMILES notation for 2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propyl-propan-2-ylamino]-4-methylphenol?
The canonical SMILES for 2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propyl-propan-2-ylamino]-4-methylphenol is Cc1ccc(O)c(N(CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C(C)C)c1.
What is the InChIKey of 2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propyl-propan-2-ylamino]-4-methylphenol?
The InChIKey is CVRPOPFQVQCUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N2O2/c1-24(2)33(29-23-25(3)15-16-30(29)34)20-10-19-32-21-17-28(18-22-32)31(35,26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-16,23-24,28,34-35H,10,17-22H2,1-3H3.
What are the key properties of 2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propyl-propan-2-ylamino]-4-methylphenol?
2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propyl-propan-2-ylamino]-4-methylphenol has a molecular weight of 472.67 g/mol, XLogP of 5.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propyl-propan-2-ylamino]-4-methylphenol is sourced from PubChem (CID 10254232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).