N-tert-butyl-1-[2-(4-chlorophenyl)quinolin-4-yl]piperidin-4-amine

C24H28ClN3 — CID 86273574

IUPACN-tert-butyl-1-[2-(4-chlorophenyl)quinolin-4-yl]piperidin-4-amine
SMILESCC(C)(C)NC1CCN(c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1
InChIInChI=1S/C24H28ClN3/c1-24(2,3)27-19-12-14-28(15-13-19)23-16-22(17-8-10-18(25)11-9-17)26-21-7-5-4-6-20(21)23/h4-11,16,19,27H,12-15H2,1-3H3
InChIKeyQKJSGQLRWYZZSC-UHFFFAOYSA-N
MW393.96 g/mol
LogP5.91
Rot. Bonds3

About N-tert-butyl-1-[2-(4-chlorophenyl)quinolin-4-yl]piperidin-4-amine

N-tert-butyl-1-[2-(4-chlorophenyl)quinolin-4-yl]piperidin-4-amine (PubChem CID 86273574) has the molecular formula C24H28ClN3 and a molecular weight of 393.96 g/mol. Its IUPAC name is N-tert-butyl-1-[2-(4-chlorophenyl)quinolin-4-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-1-[2-(4-chlorophenyl)quinolin-4-yl]piperidin-4-amine
PubChem CID86273574
Molecular FormulaC24H28ClN3
Molecular Weight393.96 g/mol
Exact Mass393.20
IUPAC NameN-tert-butyl-1-[2-(4-chlorophenyl)quinolin-4-yl]piperidin-4-amine
SMILESCC(C)(C)NC1CCN(c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1
InChIInChI=1S/C24H28ClN3/c1-24(2,3)27-19-12-14-28(15-13-19)23-16-22(17-8-10-18(25)11-9-17)26-21-7-5-4-6-20(21)23/h4-11,16,19,27H,12-15H2,1-3H3
InChIKeyQKJSGQLRWYZZSC-UHFFFAOYSA-N
XLogP5.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.96
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-4-(4-methylpiperidin-1-yl)quinoline
CID 70459272
4-[4-(tert-butylamino)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]quinolin-2-amine;hydrochloride
CID 121305179
2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline
CID 135294181
N-[4-[4-(tert-butylamino)piperidin-1-yl]quinolin-2-yl]-4-chlorobenzamide;N-tert-butylpiperidin-4-amine;4-chloro-N-(4-chloroquinolin-2-yl)benzamide
CID 159328751
4-[[[4-[4-(tert-butylamino)piperidin-1-yl]quinolin-2-yl]amino]methyl]phenol
CID 158845027
4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-6-ol;hydrochloride
CID 146441064
4-(4-ethylpiperidin-1-yl)-2-phenylquinoline
CID 91081201
4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-8-ol
CID 146441023
1-(7-chloro-2-phenylquinolin-4-yl)-N,N-diethylpiperidin-4-amine
CID 86273339
1-(2-phenylquinolin-4-yl)piperidine-4-carbonitrile
CID 10686671
4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinoline-3-carbonitrile;ethane
CID 145396540
1-[2-(4-bromophenyl)quinolin-4-yl]-N,N-diethylpiperidin-4-amine
CID 86273341

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[2-(4-chlorophenyl)quinolin-4-yl]piperidin-4-amine?
The IUPAC name of N-tert-butyl-1-[2-(4-chlorophenyl)quinolin-4-yl]piperidin-4-amine (CID 86273574) is N-tert-butyl-1-[2-(4-chlorophenyl)quinolin-4-yl]piperidin-4-amine.
What is the SMILES notation for N-tert-butyl-1-[2-(4-chlorophenyl)quinolin-4-yl]piperidin-4-amine?
The canonical SMILES for N-tert-butyl-1-[2-(4-chlorophenyl)quinolin-4-yl]piperidin-4-amine is CC(C)(C)NC1CCN(c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1.
What is the InChIKey of N-tert-butyl-1-[2-(4-chlorophenyl)quinolin-4-yl]piperidin-4-amine?
The InChIKey is QKJSGQLRWYZZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3/c1-24(2,3)27-19-12-14-28(15-13-19)23-16-22(17-8-10-18(25)11-9-17)26-21-7-5-4-6-20(21)23/h4-11,16,19,27H,12-15H2,1-3H3.
What are the key properties of N-tert-butyl-1-[2-(4-chlorophenyl)quinolin-4-yl]piperidin-4-amine?
N-tert-butyl-1-[2-(4-chlorophenyl)quinolin-4-yl]piperidin-4-amine has a molecular weight of 393.96 g/mol, XLogP of 5.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[2-(4-chlorophenyl)quinolin-4-yl]piperidin-4-amine is sourced from PubChem (CID 86273574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).