2-phenyl-4-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]quinoline;hydrochloride

C27H34ClN3 — CID 86275500

IUPAC2-phenyl-4-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]quinoline;hydrochloride
SMILESCC(c1cc(-c2ccccc2)nc2ccccc12)N1CCC(N2CCCCC2)CC1.Cl
InChIInChI=1S/C27H33N3.ClH/c1-21(29-18-14-23(15-19-29)30-16-8-3-9-17-30)25-20-27(22-10-4-2-5-11-22)28-26-13-7-6-12-24(25)26;/h2,4-7,10-13,20-21,23H,3,8-9,14-19H2,1H3;1H
InChIKeyDQCXJIODFJCSLM-UHFFFAOYSA-N
MW436.04 g/mol
LogP6.33
Rot. Bonds4

About 2-phenyl-4-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]quinoline;hydrochloride

2-phenyl-4-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]quinoline;hydrochloride (PubChem CID 86275500) has the molecular formula C27H34ClN3 and a molecular weight of 436.04 g/mol. Its IUPAC name is 2-phenyl-4-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]quinoline;hydrochloride.

Molecular Properties

Compound Name2-phenyl-4-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]quinoline;hydrochloride
PubChem CID86275500
Molecular FormulaC27H34ClN3
Molecular Weight436.04 g/mol
Exact Mass435.24
IUPAC Name2-phenyl-4-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]quinoline;hydrochloride
SMILESCC(c1cc(-c2ccccc2)nc2ccccc12)N1CCC(N2CCCCC2)CC1.Cl
InChIInChI=1S/C27H33N3.ClH/c1-21(29-18-14-23(15-19-29)30-16-8-3-9-17-30)25-20-27(22-10-4-2-5-11-22)28-26-13-7-6-12-24(25)26;/h2,4-7,10-13,20-21,23H,3,8-9,14-19H2,1H3;1H
InChIKeyDQCXJIODFJCSLM-UHFFFAOYSA-N
XLogP6.33
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.04
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(N-benzyl-N-(2-phenylethyl)-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine);dihydrochloride
CID 161313655
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,N-diethyl-1-[1-(2-naphthalen-2-ylquinolin-4-yl)ethyl]piperidin-4-amine
CID 86274057
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
4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine;dihydrochloride
CID 122554560
ethane;4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine
CID 144714319
1-benzyl-N-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride
CID 90459229
1,4-dioxa-8-azaspiro[4.5]decane;1-(2-phenylquinolin-4-yl)ethanone;8-[1-(2-phenylquinolin-4-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 158750926
4-methyl-2-(4-piperidin-1-ylazepan-1-yl)quinazoline
CID 142905223
2-[1-[4-(azetidin-1-yl)piperidin-1-yl]ethyl]-1-(difluoromethyl)benzimidazole
CID 154766136
4-[1-(1H-imidazol-5-yl)ethyl]-2-phenylquinoline;dihydrochloride
CID 23499155
2-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 20880266

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]quinoline;hydrochloride?
The IUPAC name of 2-phenyl-4-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]quinoline;hydrochloride (CID 86275500) is 2-phenyl-4-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]quinoline;hydrochloride.
What is the SMILES notation for 2-phenyl-4-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]quinoline;hydrochloride?
The canonical SMILES for 2-phenyl-4-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]quinoline;hydrochloride is CC(c1cc(-c2ccccc2)nc2ccccc12)N1CCC(N2CCCCC2)CC1.Cl.
What is the InChIKey of 2-phenyl-4-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]quinoline;hydrochloride?
The InChIKey is DQCXJIODFJCSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3.ClH/c1-21(29-18-14-23(15-19-29)30-16-8-3-9-17-30)25-20-27(22-10-4-2-5-11-22)28-26-13-7-6-12-24(25)26;/h2,4-7,10-13,20-21,23H,3,8-9,14-19H2,1H3;1H.
What are the key properties of 2-phenyl-4-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]quinoline;hydrochloride?
2-phenyl-4-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]quinoline;hydrochloride has a molecular weight of 436.04 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]quinoline;hydrochloride is sourced from PubChem (CID 86275500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).