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

C74H80Cl2N6 — CID 161313655

IUPACbis(N-benzyl-N-(2-phenylethyl)-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine);dihydrochloride
SMILESCC(c1cc(-c2ccccc2)nc2ccccc12)N1CCC(N(CCc2ccccc2)Cc2ccccc2)CC1.CC(c1cc(-c2ccccc2)nc2ccccc12)N1CCC(N(CCc2ccccc2)Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/2C37H39N3.2ClH/c2*1-29(35-27-37(32-17-9-4-10-18-32)38-36-20-12-11-19-34(35)36)39-25-22-33(23-26-39)40(28-31-15-7-3-8-16-31)24-21-30-13-5-2-6-14-30;;/h2*2-20,27,29,33H,21-26,28H2,1H3;2*1H
InChIKeyOJIAQCALPMGEAI-UHFFFAOYSA-N
MW1124.40 g/mol
LogP17.19
Rot. Bonds18

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

bis(N-benzyl-N-(2-phenylethyl)-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine);dihydrochloride (PubChem CID 161313655) has the molecular formula C74H80Cl2N6 and a molecular weight of 1124.40 g/mol. Its IUPAC name is bis(N-benzyl-N-(2-phenylethyl)-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine);dihydrochloride.

Molecular Properties

Compound Namebis(N-benzyl-N-(2-phenylethyl)-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine);dihydrochloride
PubChem CID161313655
Molecular FormulaC74H80Cl2N6
Molecular Weight1124.40 g/mol
Exact Mass1122.58
IUPAC Namebis(N-benzyl-N-(2-phenylethyl)-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine);dihydrochloride
SMILESCC(c1cc(-c2ccccc2)nc2ccccc12)N1CCC(N(CCc2ccccc2)Cc2ccccc2)CC1.CC(c1cc(-c2ccccc2)nc2ccccc12)N1CCC(N(CCc2ccccc2)Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/2C37H39N3.2ClH/c2*1-29(35-27-37(32-17-9-4-10-18-32)38-36-20-12-11-19-34(35)36)39-25-22-33(23-26-39)40(28-31-15-7-3-8-16-31)24-21-30-13-5-2-6-14-30;;/h2*2-20,27,29,33H,21-26,28H2,1H3;2*1H
InChIKeyOJIAQCALPMGEAI-UHFFFAOYSA-N
XLogP17.19
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001124.40
LogP ≤ 517.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-1-[1-(2-naphthalen-2-ylquinolin-4-yl)ethyl]piperidin-4-amine
CID 86274057
2-phenyl-4-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]quinoline;hydrochloride
CID 86275500
N,N-diethyl-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;N,N-diethylpiperidin-4-amine;1-(2-phenylquinolin-4-yl)ethanone
CID 160902581
N,N-diethyl-1-[(2-phenylquinolin-4-yl)methyl]piperidin-4-amine;dihydrochloride
CID 122554547
1-benzyl-N-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride
CID 90459229
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
N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine
CID 118109140
1-(7-chloro-2-phenylquinolin-4-yl)ethanone;1-[1-(7-chloro-2-phenylquinolin-4-yl)ethyl]-N,N-diethylpiperidin-4-amine;N,N-diethylpiperidin-4-amine
CID 161125777
N-benzyl-1-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
CID 118109308
N-benzyl-N-(2-phenylethyl)cyclohexanamine
CID 35215800
1-benzyl-N-[2-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride
CID 90459230
N-benzyl-N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 59151326

Frequently Asked Questions

What is the IUPAC name of bis(N-benzyl-N-(2-phenylethyl)-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine);dihydrochloride?
The IUPAC name of bis(N-benzyl-N-(2-phenylethyl)-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine);dihydrochloride (CID 161313655) is bis(N-benzyl-N-(2-phenylethyl)-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine);dihydrochloride.
What is the SMILES notation for bis(N-benzyl-N-(2-phenylethyl)-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine);dihydrochloride?
The canonical SMILES for bis(N-benzyl-N-(2-phenylethyl)-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine);dihydrochloride is CC(c1cc(-c2ccccc2)nc2ccccc12)N1CCC(N(CCc2ccccc2)Cc2ccccc2)CC1.CC(c1cc(-c2ccccc2)nc2ccccc12)N1CCC(N(CCc2ccccc2)Cc2ccccc2)CC1.Cl.Cl.
What is the InChIKey of bis(N-benzyl-N-(2-phenylethyl)-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine);dihydrochloride?
The InChIKey is OJIAQCALPMGEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H39N3.2ClH/c2*1-29(35-27-37(32-17-9-4-10-18-32)38-36-20-12-11-19-34(35)36)39-25-22-33(23-26-39)40(28-31-15-7-3-8-16-31)24-21-30-13-5-2-6-14-30;;/h2*2-20,27,29,33H,21-26,28H2,1H3;2*1H.
What are the key properties of bis(N-benzyl-N-(2-phenylethyl)-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine);dihydrochloride?
bis(N-benzyl-N-(2-phenylethyl)-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine);dihydrochloride has a molecular weight of 1124.40 g/mol, XLogP of 17.19, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-benzyl-N-(2-phenylethyl)-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine);dihydrochloride is sourced from PubChem (CID 161313655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).