1-benzyl-N-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride

C29H33Cl2N3 — CID 90459229

IUPAC1-benzyl-N-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride
SMILESCC(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccccc2)nc2ccccc12.Cl.Cl
InChIInChI=1S/C29H31N3.2ClH/c1-22(30-25-16-18-32(19-17-25)21-23-10-4-2-5-11-23)27-20-29(24-12-6-3-7-13-24)31-28-15-9-8-14-26(27)28;;/h2-15,20,22,25,30H,16-19,21H2,1H3;2*1H
InChIKeyGACMBLQPHMKXHG-UHFFFAOYSA-N
MW494.51 g/mol
LogP7.06
Rot. Bonds6

About 1-benzyl-N-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride

1-benzyl-N-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride (PubChem CID 90459229) has the molecular formula C29H33Cl2N3 and a molecular weight of 494.51 g/mol. Its IUPAC name is 1-benzyl-N-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-benzyl-N-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride
PubChem CID90459229
Molecular FormulaC29H33Cl2N3
Molecular Weight494.51 g/mol
Exact Mass493.21
IUPAC Name1-benzyl-N-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride
SMILESCC(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccccc2)nc2ccccc12.Cl.Cl
InChIInChI=1S/C29H31N3.2ClH/c1-22(30-25-16-18-32(19-17-25)21-23-10-4-2-5-11-23)27-20-29(24-12-6-3-7-13-24)31-28-15-9-8-14-26(27)28;;/h2-15,20,22,25,30H,16-19,21H2,1H3;2*1H
InChIKeyGACMBLQPHMKXHG-UHFFFAOYSA-N
XLogP7.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.51
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[1-(7-chloro-2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride
CID 122554559
1-benzyl-N-[2-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride
CID 90459230
1-benzyl-N-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine
CID 122176958
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 6938115
N,N-diethyl-1-[(2-phenylquinolin-4-yl)methyl]piperidin-4-amine;dihydrochloride
CID 122554547
2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol
CID 43499736
N-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide
CID 86272150
bis(N-benzyl-N-(2-phenylethyl)-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine);dihydrochloride
CID 161313655
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-[1-(1-methylcyclopropyl)ethyl]piperidin-4-amine
CID 43363145
4-[1-(1H-imidazol-5-yl)ethyl]-2-phenylquinoline;dihydrochloride
CID 23499155
N-tert-butyl-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;2-methylpropan-2-amine;1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-one
CID 162111722

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride?
The IUPAC name of 1-benzyl-N-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride (CID 90459229) is 1-benzyl-N-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-benzyl-N-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-benzyl-N-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride is CC(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccccc2)nc2ccccc12.Cl.Cl.
What is the InChIKey of 1-benzyl-N-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride?
The InChIKey is GACMBLQPHMKXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3.2ClH/c1-22(30-25-16-18-32(19-17-25)21-23-10-4-2-5-11-23)27-20-29(24-12-6-3-7-13-24)31-28-15-9-8-14-26(27)28;;/h2-15,20,22,25,30H,16-19,21H2,1H3;2*1H.
What are the key properties of 1-benzyl-N-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride?
1-benzyl-N-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride has a molecular weight of 494.51 g/mol, XLogP of 7.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 90459229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).