1-[1-[(5-chloroquinolin-8-yl)methyl]piperidin-3-yl]ethanamine

C17H22ClN3 — CID 115741490

IUPAC1-[1-[(5-chloroquinolin-8-yl)methyl]piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(Cc2ccc(Cl)c3cccnc23)C1
InChIInChI=1S/C17H22ClN3/c1-12(19)13-4-3-9-21(10-13)11-14-6-7-16(18)15-5-2-8-20-17(14)15/h2,5-8,12-13H,3-4,9-11,19H2,1H3
InChIKeyMNCXWZMHKZJHNO-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.45
Rot. Bonds3

About 1-[1-[(5-chloroquinolin-8-yl)methyl]piperidin-3-yl]ethanamine

1-[1-[(5-chloroquinolin-8-yl)methyl]piperidin-3-yl]ethanamine (PubChem CID 115741490) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 1-[1-[(5-chloroquinolin-8-yl)methyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(5-chloroquinolin-8-yl)methyl]piperidin-3-yl]ethanamine
PubChem CID115741490
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name1-[1-[(5-chloroquinolin-8-yl)methyl]piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(Cc2ccc(Cl)c3cccnc23)C1
InChIInChI=1S/C17H22ClN3/c1-12(19)13-4-3-9-21(10-13)11-14-6-7-16(18)15-5-2-8-20-17(14)15/h2,5-8,12-13H,3-4,9-11,19H2,1H3
InChIKeyMNCXWZMHKZJHNO-UHFFFAOYSA-N
XLogP3.45
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

1-[(5-chloroquinolin-8-yl)methyl]-4-methylpiperidin-3-amine
CID 115959704
1-[1-[(3-chloro-2-ethoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120841087
5-chloro-8-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline
CID 87016276
5-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline
CID 55852938
1-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120966307
2-[1-[(5-chloroquinolin-8-yl)methyl]azepan-4-yl]acetic acid
CID 120953605
(1S)-1-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine
CID 129369862
N-methyl-1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanamine
CID 63854973
8-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-5-chloroquinoline;hydrochloride
CID 120661005
1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 119925714
1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 63848044
1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103976273

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-chloroquinolin-8-yl)methyl]piperidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[(5-chloroquinolin-8-yl)methyl]piperidin-3-yl]ethanamine (CID 115741490) is 1-[1-[(5-chloroquinolin-8-yl)methyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[(5-chloroquinolin-8-yl)methyl]piperidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[(5-chloroquinolin-8-yl)methyl]piperidin-3-yl]ethanamine is CC(N)C1CCCN(Cc2ccc(Cl)c3cccnc23)C1.
What is the InChIKey of 1-[1-[(5-chloroquinolin-8-yl)methyl]piperidin-3-yl]ethanamine?
The InChIKey is MNCXWZMHKZJHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-12(19)13-4-3-9-21(10-13)11-14-6-7-16(18)15-5-2-8-20-17(14)15/h2,5-8,12-13H,3-4,9-11,19H2,1H3.
What are the key properties of 1-[1-[(5-chloroquinolin-8-yl)methyl]piperidin-3-yl]ethanamine?
1-[1-[(5-chloroquinolin-8-yl)methyl]piperidin-3-yl]ethanamine has a molecular weight of 303.84 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-chloroquinolin-8-yl)methyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 115741490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).