1-benzyl-N-(cyclohexylmethyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine

C32H40N2O — CID 21191023

IUPAC1-benzyl-N-(cyclohexylmethyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine
SMILESc1ccc(COc2ccc(N(CC3CCCCC3)C3CCN(Cc4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C32H40N2O/c1-4-10-27(11-5-1)24-33-22-20-31(21-23-33)34(25-28-12-6-2-7-13-28)30-16-18-32(19-17-30)35-26-29-14-8-3-9-15-29/h1,3-5,8-11,14-19,28,31H,2,6-7,12-13,20-26H2
InChIKeyXPTLKYKZJARVFK-UHFFFAOYSA-N
MW468.69 g/mol
LogP7.32
Rot. Bonds9

About 1-benzyl-N-(cyclohexylmethyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine

1-benzyl-N-(cyclohexylmethyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine (PubChem CID 21191023) has the molecular formula C32H40N2O and a molecular weight of 468.69 g/mol. Its IUPAC name is 1-benzyl-N-(cyclohexylmethyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(cyclohexylmethyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine
PubChem CID21191023
Molecular FormulaC32H40N2O
Molecular Weight468.69 g/mol
Exact Mass468.31
IUPAC Name1-benzyl-N-(cyclohexylmethyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine
SMILESc1ccc(COc2ccc(N(CC3CCCCC3)C3CCN(Cc4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C32H40N2O/c1-4-10-27(11-5-1)24-33-22-20-31(21-23-33)34(25-28-12-6-2-7-13-28)30-16-18-32(19-17-30)35-26-29-14-8-3-9-15-29/h1,3-5,8-11,14-19,28,31H,2,6-7,12-13,20-26H2
InChIKeyXPTLKYKZJARVFK-UHFFFAOYSA-N
XLogP7.32
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.69
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(diethylamino)phenyl]methyl]-N-octyl-N-(4-phenylmethoxyphenyl)piperidin-4-amine
CID 71495398
1,4-bis[(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 6480590
N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119922484
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylmethoxyaniline
CID 54330265
1-[(4-chlorophenyl)methyl]-N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)pyrrolidin-3-amine
CID 21190986
1-benzyl-4-(phenoxymethyl)piperidine
CID 18919890
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922021
1-(2-amino-4-methylpentyl)-N-(3-methylbutyl)-N-(4-phenylmethoxyphenyl)pyrrolidin-3-amine
CID 18380852
cyclopropyl-(4-phenylmethoxyphenyl)carbamic acid
CID 67143911
(3R)-1-[(4-phenylmethoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidine
CID 28784062
1-(2-methylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine
CID 1376375

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(cyclohexylmethyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine?
The IUPAC name of 1-benzyl-N-(cyclohexylmethyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine (CID 21191023) is 1-benzyl-N-(cyclohexylmethyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-(cyclohexylmethyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-(cyclohexylmethyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine is c1ccc(COc2ccc(N(CC3CCCCC3)C3CCN(Cc4ccccc4)CC3)cc2)cc1.
What is the InChIKey of 1-benzyl-N-(cyclohexylmethyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine?
The InChIKey is XPTLKYKZJARVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N2O/c1-4-10-27(11-5-1)24-33-22-20-31(21-23-33)34(25-28-12-6-2-7-13-28)30-16-18-32(19-17-30)35-26-29-14-8-3-9-15-29/h1,3-5,8-11,14-19,28,31H,2,6-7,12-13,20-26H2.
What are the key properties of 1-benzyl-N-(cyclohexylmethyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine?
1-benzyl-N-(cyclohexylmethyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine has a molecular weight of 468.69 g/mol, XLogP of 7.32, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(cyclohexylmethyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 21191023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).