[2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride

C17H23Cl2N3O — CID 119437061

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
SMILESCC(N)C1CCCCN1C(=O)c1ccc2ncccc2c1.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-12(18)16-6-2-3-10-20(16)17(21)14-7-8-15-13(11-14)5-4-9-19-15;;/h4-5,7-9,11-12,16H,2-3,6,10,18H2,1H3;2*1H
InChIKeyFYTSFYNVWKKSCF-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.42
Rot. Bonds2

About [2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride

[2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride (PubChem CID 119437061) has the molecular formula C17H23Cl2N3O and a molecular weight of 356.30 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
PubChem CID119437061
Molecular FormulaC17H23Cl2N3O
Molecular Weight356.30 g/mol
Exact Mass355.12
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
SMILESCC(N)C1CCCCN1C(=O)c1ccc2ncccc2c1.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-12(18)16-6-2-3-10-20(16)17(21)14-7-8-15-13(11-14)5-4-9-19-15;;/h4-5,7-9,11-12,16H,2-3,6,10,18H2,1H3;2*1H
InChIKeyFYTSFYNVWKKSCF-UHFFFAOYSA-N
XLogP3.42
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038925
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038922
[2-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119437119
[2-(1-aminoethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 119434742
[2-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 63255158
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124689326
[2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119437516
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 103805470
[2-(1-aminoethyl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 119435840
methyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate
CID 62298741
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 124689404
1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 119435979

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride (CID 119437061) is [2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride is CC(N)C1CCCCN1C(=O)c1ccc2ncccc2c1.Cl.Cl.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride?
The InChIKey is FYTSFYNVWKKSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.2ClH/c1-12(18)16-6-2-3-10-20(16)17(21)14-7-8-15-13(11-14)5-4-9-19-15;;/h4-5,7-9,11-12,16H,2-3,6,10,18H2,1H3;2*1H.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride?
[2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride has a molecular weight of 356.30 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride is sourced from PubChem (CID 119437061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).