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

C29H33Cl2N3 — CID 90459230

IUPAC1-benzyl-N-[2-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride
SMILESCl.Cl.c1ccc(CN2CCC(NCCc3cc(-c4ccccc4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C29H31N3.2ClH/c1-3-9-23(10-4-1)22-32-19-16-26(17-20-32)30-18-15-25-21-29(24-11-5-2-6-12-24)31-28-14-8-7-13-27(25)28;;/h1-14,21,26,30H,15-20,22H2;2*1H
InChIKeyTVUMWVKEGKUQLO-UHFFFAOYSA-N
MW494.51 g/mol
LogP6.54
Rot. Bonds7

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

1-benzyl-N-[2-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride (PubChem CID 90459230) has the molecular formula C29H33Cl2N3 and a molecular weight of 494.51 g/mol. Its IUPAC name is 1-benzyl-N-[2-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-benzyl-N-[2-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride
PubChem CID90459230
Molecular FormulaC29H33Cl2N3
Molecular Weight494.51 g/mol
Exact Mass493.21
IUPAC Name1-benzyl-N-[2-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride
SMILESCl.Cl.c1ccc(CN2CCC(NCCc3cc(-c4ccccc4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C29H31N3.2ClH/c1-3-9-23(10-4-1)22-32-19-16-26(17-20-32)30-18-15-25-21-29(24-11-5-2-6-12-24)31-28-14-8-7-13-27(25)28;;/h1-14,21,26,30H,15-20,22H2;2*1H
InChIKeyTVUMWVKEGKUQLO-UHFFFAOYSA-N
XLogP6.54
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.51
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride
CID 90459229
1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 17159249
1-benzyl-N-[2-(2-methoxyphenyl)ethyl]piperidin-4-amine
CID 27267411
1-benzyl-N-[1-(7-chloro-2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride
CID 122554559
N-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide
CID 86272150
N,N-diethyl-1-[(2-phenylquinolin-4-yl)methyl]piperidin-4-amine;dihydrochloride
CID 122554547
4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
CID 83453608
1-benzyl-N-butylpiperidin-4-amine
CID 11253643
1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine
CID 23738592
N-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide
CID 117082142
N-(1-benzylpiperidin-4-yl)-2-(4-ethylphenyl)-6-methylquinoline-4-carboxamide
CID 3479625
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride?
The IUPAC name of 1-benzyl-N-[2-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride (CID 90459230) is 1-benzyl-N-[2-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-benzyl-N-[2-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-benzyl-N-[2-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride is Cl.Cl.c1ccc(CN2CCC(NCCc3cc(-c4ccccc4)nc4ccccc34)CC2)cc1.
What is the InChIKey of 1-benzyl-N-[2-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride?
The InChIKey is TVUMWVKEGKUQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3.2ClH/c1-3-9-23(10-4-1)22-32-19-16-26(17-20-32)30-18-15-25-21-29(24-11-5-2-6-12-24)31-28-14-8-7-13-27(25)28;;/h1-14,21,26,30H,15-20,22H2;2*1H.
What are the key properties of 1-benzyl-N-[2-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride?
1-benzyl-N-[2-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride has a molecular weight of 494.51 g/mol, XLogP of 6.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 90459230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).