N-[(1-benzhydryl-4-phenylpiperidin-4-yl)methyl]-1-phenylmethanamine

C32H34N2 — CID 10388887

IUPACN-[(1-benzhydryl-4-phenylpiperidin-4-yl)methyl]-1-phenylmethanamine
SMILESc1ccc(CNCC2(c3ccccc3)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C32H34N2/c1-5-13-27(14-6-1)25-33-26-32(30-19-11-4-12-20-30)21-23-34(24-22-32)31(28-15-7-2-8-16-28)29-17-9-3-10-18-29/h1-20,31,33H,21-26H2
InChIKeyXHSVPTIBUDNYLE-UHFFFAOYSA-N
MW446.64 g/mol
LogP6.60
Rot. Bonds8

About N-[(1-benzhydryl-4-phenylpiperidin-4-yl)methyl]-1-phenylmethanamine

N-[(1-benzhydryl-4-phenylpiperidin-4-yl)methyl]-1-phenylmethanamine (PubChem CID 10388887) has the molecular formula C32H34N2 and a molecular weight of 446.64 g/mol. Its IUPAC name is N-[(1-benzhydryl-4-phenylpiperidin-4-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(1-benzhydryl-4-phenylpiperidin-4-yl)methyl]-1-phenylmethanamine
PubChem CID10388887
Molecular FormulaC32H34N2
Molecular Weight446.64 g/mol
Exact Mass446.27
IUPAC NameN-[(1-benzhydryl-4-phenylpiperidin-4-yl)methyl]-1-phenylmethanamine
SMILESc1ccc(CNCC2(c3ccccc3)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C32H34N2/c1-5-13-27(14-6-1)25-33-26-32(30-19-11-4-12-20-30)21-23-34(24-22-32)31(28-15-7-2-8-16-28)29-17-9-3-10-18-29/h1-20,31,33H,21-26H2
InChIKeyXHSVPTIBUDNYLE-UHFFFAOYSA-N
XLogP6.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.64
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzhydryl-4-phenylpiperidine-4-carbaldehyde
CID 10428299
1-(4-benzhydrylpiperazin-1-yl)-3-(benzylamino)propan-2-ol
CID 3072697
N-[(4-phenyloxan-4-yl)methyl]-1-(4-piperidin-1-ylphenyl)methanamine
CID 55684281
1-benzhydryl-4-phenyl-4-propoxypiperidine
CID 10317947
N-[(1-phenylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine
CID 60760072
N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]formamide
CID 23538
3-[[[1-(4-chlorophenyl)cyclopropyl]methylamino]methyl]benzoic acid
CID 122030975
4-[[[1-(3-chlorophenyl)cyclopropyl]methylamino]methyl]benzoic acid
CID 122031537
4-[[[1-(3-fluorophenyl)cyclopropyl]methylamino]methyl]benzoic acid
CID 122031532
N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine
CID 103735802
3-[[[1-(4-fluorophenyl)cyclobutyl]methylamino]methyl]benzoic acid
CID 122030882
N-[4-[[(4-phenyloxan-4-yl)methylamino]methyl]phenyl]acetamide
CID 38066830

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzhydryl-4-phenylpiperidin-4-yl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(1-benzhydryl-4-phenylpiperidin-4-yl)methyl]-1-phenylmethanamine (CID 10388887) is N-[(1-benzhydryl-4-phenylpiperidin-4-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(1-benzhydryl-4-phenylpiperidin-4-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(1-benzhydryl-4-phenylpiperidin-4-yl)methyl]-1-phenylmethanamine is c1ccc(CNCC2(c3ccccc3)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[(1-benzhydryl-4-phenylpiperidin-4-yl)methyl]-1-phenylmethanamine?
The InChIKey is XHSVPTIBUDNYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2/c1-5-13-27(14-6-1)25-33-26-32(30-19-11-4-12-20-30)21-23-34(24-22-32)31(28-15-7-2-8-16-28)29-17-9-3-10-18-29/h1-20,31,33H,21-26H2.
What are the key properties of N-[(1-benzhydryl-4-phenylpiperidin-4-yl)methyl]-1-phenylmethanamine?
N-[(1-benzhydryl-4-phenylpiperidin-4-yl)methyl]-1-phenylmethanamine has a molecular weight of 446.64 g/mol, XLogP of 6.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzhydryl-4-phenylpiperidin-4-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 10388887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).