1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride

C25H30Cl2N2 — CID 17159249

IUPAC1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride
SMILESCl.Cl.c1ccc(CN2CCC(NCc3ccc(-c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C25H28N2.2ClH/c1-3-7-22(8-4-1)20-27-17-15-25(16-18-27)26-19-21-11-13-24(14-12-21)23-9-5-2-6-10-23;;/h1-14,25-26H,15-20H2;2*1H
InChIKeyHUSZXLMMAMHAGD-UHFFFAOYSA-N
MW429.44 g/mol
LogP5.95
Rot. Bonds6

About 1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride

1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride (PubChem CID 17159249) has the molecular formula C25H30Cl2N2 and a molecular weight of 429.44 g/mol. Its IUPAC name is 1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride
PubChem CID17159249
Molecular FormulaC25H30Cl2N2
Molecular Weight429.44 g/mol
Exact Mass428.18
IUPAC Name1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride
SMILESCl.Cl.c1ccc(CN2CCC(NCc3ccc(-c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C25H28N2.2ClH/c1-3-7-22(8-4-1)20-27-17-15-25(16-18-27)26-19-21-11-13-24(14-12-21)23-9-5-2-6-10-23;;/h1-14,25-26H,15-20H2;2*1H
InChIKeyHUSZXLMMAMHAGD-UHFFFAOYSA-N
XLogP5.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.44
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-[(4-phenylphenyl)methyl]azepan-4-amine;ethane
CID 142128621
1-benzyl-N-[[2-[4-[(cyclopentylamino)methyl]phenyl]phenyl]methyl]piperidin-4-amine
CID 44534713
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-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine
CID 43215927
(3S)-1-[(4-methoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
CID 142698472
1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine
CID 23738592
cyclopropyl-[4-[(4-phenylphenyl)methylamino]piperidin-1-yl]methanone;hydrochloride
CID 56808716
1-benzyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159389
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 4846950
1-benzyl-N-[[4-(2,2-dithiophen-2-ylethenyl)phenyl]methyl]piperidin-4-amine;hydrochloride
CID 44532729
1-benzyl-N-methylpiperidin-4-amine
CID 4136128

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride?
The IUPAC name of 1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride (CID 17159249) is 1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride is Cl.Cl.c1ccc(CN2CCC(NCc3ccc(-c4ccccc4)cc3)CC2)cc1.
What is the InChIKey of 1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride?
The InChIKey is HUSZXLMMAMHAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2.2ClH/c1-3-7-22(8-4-1)20-27-17-15-25(16-18-27)26-19-21-11-13-24(14-12-21)23-9-5-2-6-10-23;;/h1-14,25-26H,15-20H2;2*1H.
What are the key properties of 1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride?
1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride has a molecular weight of 429.44 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 17159249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).