[3-(aminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride

C16H21Cl2N3O — CID 119464977

IUPAC[3-(aminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
SMILESCl.Cl.NCC1CCCN(C(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C16H19N3O.2ClH/c17-10-12-4-3-9-19(11-12)16(20)14-7-1-5-13-6-2-8-18-15(13)14;;/h1-2,5-8,12H,3-4,9-11,17H2;2*1H
InChIKeyIIOCKXOIHOZYJK-UHFFFAOYSA-N
MW342.27 g/mol
LogP2.89
Rot. Bonds2

About [3-(aminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride

[3-(aminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride (PubChem CID 119464977) has the molecular formula C16H21Cl2N3O and a molecular weight of 342.27 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
PubChem CID119464977
Molecular FormulaC16H21Cl2N3O
Molecular Weight342.27 g/mol
Exact Mass341.11
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
SMILESCl.Cl.NCC1CCCN(C(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C16H19N3O.2ClH/c17-10-12-4-3-9-19(11-12)16(20)14-7-1-5-13-6-2-8-18-15(13)14;;/h1-2,5-8,12H,3-4,9-11,17H2;2*1H
InChIKeyIIOCKXOIHOZYJK-UHFFFAOYSA-N
XLogP2.89
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-quinoxalin-5-ylmethanone
CID 104614000
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71644537
(3-hydroxypiperidin-1-yl)-quinolin-8-ylmethanone
CID 43415800
(4-aminopiperidin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119375001
[3-(aminomethyl)-4-methylpiperidin-1-yl]-quinolin-8-ylmethanone
CID 114960494
(3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone
CID 62917957
4-[1-(quinoline-8-carbonyl)piperidin-3-yl]benzoic acid
CID 72854481
[3-(aminomethyl)piperidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride
CID 119464789
(3-pyrazin-2-ylpiperidin-1-yl)-quinolin-8-ylmethanone
CID 127246089
(3-amino-5-methylpiperidin-1-yl)-quinolin-8-ylmethanone
CID 79994421
(2-methoxy-3-pyridinyl)-[(3S)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 125000469
[3-(2-aminoethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 120727378

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride (CID 119464977) is [3-(aminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride is Cl.Cl.NCC1CCCN(C(=O)c2cccc3cccnc23)C1.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride?
The InChIKey is IIOCKXOIHOZYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.2ClH/c17-10-12-4-3-9-19(11-12)16(20)14-7-1-5-13-6-2-8-18-15(13)14;;/h1-2,5-8,12H,3-4,9-11,17H2;2*1H.
What are the key properties of [3-(aminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride?
[3-(aminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride has a molecular weight of 342.27 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride is sourced from PubChem (CID 119464977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).