1-benzyl-N-[[2-[4-[(cyclopentylamino)methyl]phenyl]phenyl]methyl]piperidin-4-amine

C31H39N3 — CID 44534713

IUPAC1-benzyl-N-[[2-[4-[(cyclopentylamino)methyl]phenyl]phenyl]methyl]piperidin-4-amine
SMILESc1ccc(CN2CCC(NCc3ccccc3-c3ccc(CNC4CCCC4)cc3)CC2)cc1
InChIInChI=1S/C31H39N3/c1-2-8-26(9-3-1)24-34-20-18-30(19-21-34)33-23-28-10-4-7-13-31(28)27-16-14-25(15-17-27)22-32-29-11-5-6-12-29/h1-4,7-10,13-17,29-30,32-33H,5-6,11-12,18-24H2
InChIKeyHCPYWVRWTHYILX-UHFFFAOYSA-N
MW453.67 g/mol
LogP6.14
Rot. Bonds9

About 1-benzyl-N-[[2-[4-[(cyclopentylamino)methyl]phenyl]phenyl]methyl]piperidin-4-amine

1-benzyl-N-[[2-[4-[(cyclopentylamino)methyl]phenyl]phenyl]methyl]piperidin-4-amine (PubChem CID 44534713) has the molecular formula C31H39N3 and a molecular weight of 453.67 g/mol. Its IUPAC name is 1-benzyl-N-[[2-[4-[(cyclopentylamino)methyl]phenyl]phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[[2-[4-[(cyclopentylamino)methyl]phenyl]phenyl]methyl]piperidin-4-amine
PubChem CID44534713
Molecular FormulaC31H39N3
Molecular Weight453.67 g/mol
Exact Mass453.31
IUPAC Name1-benzyl-N-[[2-[4-[(cyclopentylamino)methyl]phenyl]phenyl]methyl]piperidin-4-amine
SMILESc1ccc(CN2CCC(NCc3ccccc3-c3ccc(CNC4CCCC4)cc3)CC2)cc1
InChIInChI=1S/C31H39N3/c1-2-8-26(9-3-1)24-34-20-18-30(19-21-34)33-23-28-10-4-7-13-31(28)27-16-14-25(15-17-27)22-32-29-11-5-6-12-29/h1-4,7-10,13-17,29-30,32-33H,5-6,11-12,18-24H2
InChIKeyHCPYWVRWTHYILX-UHFFFAOYSA-N
XLogP6.14
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.67
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-N-[[2-[4-[(cyclopentylamino)methyl]phenyl]phenyl]methyl]piperidin-4-amine 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

1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 17159249
1-benzyl-N-[(4-phenylphenyl)methyl]azepan-4-amine;ethane
CID 142128621
1-benzyl-N-[[4-(2-phenylethenyl)phenyl]methyl]piperidin-4-amine
CID 70166037
1-benzyl-N-[[4-[(E)-2-phenylethenyl]phenyl]methyl]piperidin-4-amine
CID 10177971
1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine
CID 23738592
benzene;N-benzylcyclohexanamine
CID 142622843
4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
CID 83453608
1-benzyl-N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine
CID 17159370
1-benzyl-N-[(3-nitrophenyl)methyl]piperidin-4-amine
CID 17159259
1-benzyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159389
2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyridin-2-ylphenol
CID 135971342
1-benzyl-N-[(1-methylcyclopentyl)methyl]piperidin-4-amine
CID 63821124

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[2-[4-[(cyclopentylamino)methyl]phenyl]phenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[[2-[4-[(cyclopentylamino)methyl]phenyl]phenyl]methyl]piperidin-4-amine (CID 44534713) is 1-benzyl-N-[[2-[4-[(cyclopentylamino)methyl]phenyl]phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[[2-[4-[(cyclopentylamino)methyl]phenyl]phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[[2-[4-[(cyclopentylamino)methyl]phenyl]phenyl]methyl]piperidin-4-amine is c1ccc(CN2CCC(NCc3ccccc3-c3ccc(CNC4CCCC4)cc3)CC2)cc1.
What is the InChIKey of 1-benzyl-N-[[2-[4-[(cyclopentylamino)methyl]phenyl]phenyl]methyl]piperidin-4-amine?
The InChIKey is HCPYWVRWTHYILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N3/c1-2-8-26(9-3-1)24-34-20-18-30(19-21-34)33-23-28-10-4-7-13-31(28)27-16-14-25(15-17-27)22-32-29-11-5-6-12-29/h1-4,7-10,13-17,29-30,32-33H,5-6,11-12,18-24H2.
What are the key properties of 1-benzyl-N-[[2-[4-[(cyclopentylamino)methyl]phenyl]phenyl]methyl]piperidin-4-amine?
1-benzyl-N-[[2-[4-[(cyclopentylamino)methyl]phenyl]phenyl]methyl]piperidin-4-amine has a molecular weight of 453.67 g/mol, XLogP of 6.14, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[2-[4-[(cyclopentylamino)methyl]phenyl]phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 44534713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).