4-benzhydryl-1-[[3-methyl-5-(4-methylphenyl)furan-2-yl]methyl]piperidine;hydrochloride

C31H34ClNO — CID 70076896

IUPAC4-benzhydryl-1-[[3-methyl-5-(4-methylphenyl)furan-2-yl]methyl]piperidine;hydrochloride
SMILESCc1ccc(-c2cc(C)c(CN3CCC(C(c4ccccc4)c4ccccc4)CC3)o2)cc1.Cl
InChIInChI=1S/C31H33NO.ClH/c1-23-13-15-25(16-14-23)29-21-24(2)30(33-29)22-32-19-17-28(18-20-32)31(26-9-5-3-6-10-26)27-11-7-4-8-12-27;/h3-16,21,28,31H,17-20,22H2,1-2H3;1H
InChIKeyNYWYOZOUQOCQAV-UHFFFAOYSA-N
MW472.07 g/mol
LogP8.03
Rot. Bonds6

About 4-benzhydryl-1-[[3-methyl-5-(4-methylphenyl)furan-2-yl]methyl]piperidine;hydrochloride

4-benzhydryl-1-[[3-methyl-5-(4-methylphenyl)furan-2-yl]methyl]piperidine;hydrochloride (PubChem CID 70076896) has the molecular formula C31H34ClNO and a molecular weight of 472.07 g/mol. Its IUPAC name is 4-benzhydryl-1-[[3-methyl-5-(4-methylphenyl)furan-2-yl]methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-benzhydryl-1-[[3-methyl-5-(4-methylphenyl)furan-2-yl]methyl]piperidine;hydrochloride
PubChem CID70076896
Molecular FormulaC31H34ClNO
Molecular Weight472.07 g/mol
Exact Mass471.23
IUPAC Name4-benzhydryl-1-[[3-methyl-5-(4-methylphenyl)furan-2-yl]methyl]piperidine;hydrochloride
SMILESCc1ccc(-c2cc(C)c(CN3CCC(C(c4ccccc4)c4ccccc4)CC3)o2)cc1.Cl
InChIInChI=1S/C31H33NO.ClH/c1-23-13-15-25(16-14-23)29-21-24(2)30(33-29)22-32-19-17-28(18-20-32)31(26-9-5-3-6-10-26)27-11-7-4-8-12-27;/h3-16,21,28,31H,17-20,22H2,1-2H3;1H
InChIKeyNYWYOZOUQOCQAV-UHFFFAOYSA-N
XLogP8.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.07
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-benzhydryl-1-[[3-methyl-5-(4-methylphenyl)furan-2-yl]methyl]piperidine;hydrochloride 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

4-benzhydryl-1-[(3-methyl-5-phenylfuran-2-yl)methyl]piperidine;dihydrochloride
CID 19430391
1-benzhydryl-4-[(3-methyl-5-phenylfuran-2-yl)methyl]piperazine
CID 15288241
4-benzhydryl-1-[(3-methyl-5-phenylthiophen-2-yl)methyl]piperidine
CID 15288254
1-methyl-4-[[4-[(4-methylphenyl)-phenylmethyl]cyclohexyl]-phenylmethyl]benzene
CID 169434588
2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 59104361
N-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide
CID 21424837
4-(4-benzhydrylpiperidin-1-yl)butan-1-amine
CID 21192630
4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol
CID 19937449
ethyl 3-(4-benzhydrylpiperidin-1-yl)propanoate;methane
CID 158654311
2-(3-benzhydrylpyrrolidin-1-yl)ethanamine
CID 131855350
1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 106837511
[4-[(1-benzylpiperidin-4-yl)-(3-fluorophenyl)methyl]phenyl]carbamic acid
CID 23435913

Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-1-[[3-methyl-5-(4-methylphenyl)furan-2-yl]methyl]piperidine;hydrochloride?
The IUPAC name of 4-benzhydryl-1-[[3-methyl-5-(4-methylphenyl)furan-2-yl]methyl]piperidine;hydrochloride (CID 70076896) is 4-benzhydryl-1-[[3-methyl-5-(4-methylphenyl)furan-2-yl]methyl]piperidine;hydrochloride.
What is the SMILES notation for 4-benzhydryl-1-[[3-methyl-5-(4-methylphenyl)furan-2-yl]methyl]piperidine;hydrochloride?
The canonical SMILES for 4-benzhydryl-1-[[3-methyl-5-(4-methylphenyl)furan-2-yl]methyl]piperidine;hydrochloride is Cc1ccc(-c2cc(C)c(CN3CCC(C(c4ccccc4)c4ccccc4)CC3)o2)cc1.Cl.
What is the InChIKey of 4-benzhydryl-1-[[3-methyl-5-(4-methylphenyl)furan-2-yl]methyl]piperidine;hydrochloride?
The InChIKey is NYWYOZOUQOCQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO.ClH/c1-23-13-15-25(16-14-23)29-21-24(2)30(33-29)22-32-19-17-28(18-20-32)31(26-9-5-3-6-10-26)27-11-7-4-8-12-27;/h3-16,21,28,31H,17-20,22H2,1-2H3;1H.
What are the key properties of 4-benzhydryl-1-[[3-methyl-5-(4-methylphenyl)furan-2-yl]methyl]piperidine;hydrochloride?
4-benzhydryl-1-[[3-methyl-5-(4-methylphenyl)furan-2-yl]methyl]piperidine;hydrochloride has a molecular weight of 472.07 g/mol, XLogP of 8.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-1-[[3-methyl-5-(4-methylphenyl)furan-2-yl]methyl]piperidine;hydrochloride is sourced from PubChem (CID 70076896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).