1-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperidin-4-amine

C17H22ClN3 — CID 120782193

IUPAC1-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(Cc2cc(Cl)cc3cccnc23)CCC1N
InChIInChI=1S/C17H22ClN3/c1-17(2)11-21(7-5-15(17)19)10-13-9-14(18)8-12-4-3-6-20-16(12)13/h3-4,6,8-9,15H,5,7,10-11,19H2,1-2H3
InChIKeyKBEOQGRELNPIMD-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.45
Rot. Bonds2

About 1-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperidin-4-amine

1-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperidin-4-amine (PubChem CID 120782193) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 1-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperidin-4-amine
PubChem CID120782193
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name1-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(Cc2cc(Cl)cc3cccnc23)CCC1N
InChIInChI=1S/C17H22ClN3/c1-17(2)11-21(7-5-15(17)19)10-13-9-14(18)8-12-4-3-6-20-16(12)13/h3-4,6,8-9,15H,5,7,10-11,19H2,1-2H3
InChIKeyKBEOQGRELNPIMD-UHFFFAOYSA-N
XLogP3.45
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperidin-4-amine with MolForge

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Related Compounds

3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine
CID 120781427
1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774160
1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775322
1-[(2S)-4-[(6-chloroquinolin-8-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 95349360
[4-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperazin-1-yl]-cyclopropylmethanone
CID 75400939
1-[(6-chloroquinolin-8-yl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol;hydroiodide
CID 167743063
1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781953
1-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775728
(6-chloroquinolin-8-yl)methanamine
CID 82505038
1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 114267620
[(3R,4R)-1-[(6-chloroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120769662
6-chloro-8-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]quinoline;hydrochloride
CID 120826404

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperidin-4-amine (CID 120782193) is 1-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperidin-4-amine is CC1(C)CN(Cc2cc(Cl)cc3cccnc23)CCC1N.
What is the InChIKey of 1-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperidin-4-amine?
The InChIKey is KBEOQGRELNPIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-17(2)11-21(7-5-15(17)19)10-13-9-14(18)8-12-4-3-6-20-16(12)13/h3-4,6,8-9,15H,5,7,10-11,19H2,1-2H3.
What are the key properties of 1-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperidin-4-amine?
1-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperidin-4-amine has a molecular weight of 303.84 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 120782193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).