[2-(1-aminoethyl)piperidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride

C18H25ClN2O3 — CID 119434852

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride
SMILESCOc1cccc2c1OCC(C(=O)N1CCCCC1C(C)N)=C2.Cl
InChIInChI=1S/C18H24N2O3.ClH/c1-12(19)15-7-3-4-9-20(15)18(21)14-10-13-6-5-8-16(22-2)17(13)23-11-14;/h5-6,8,10,12,15H,3-4,7,9,11,19H2,1-2H3;1H
InChIKeyXCHSUMAGHLMOEM-UHFFFAOYSA-N
MW352.86 g/mol
LogP2.62
Rot. Bonds3

About [2-(1-aminoethyl)piperidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride

[2-(1-aminoethyl)piperidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride (PubChem CID 119434852) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride
PubChem CID119434852
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride
SMILESCOc1cccc2c1OCC(C(=O)N1CCCCC1C(C)N)=C2.Cl
InChIInChI=1S/C18H24N2O3.ClH/c1-12(19)15-7-3-4-9-20(15)18(21)14-10-13-6-5-8-16(22-2)17(13)23-11-14;/h5-6,8,10,12,15H,3-4,7,9,11,19H2,1-2H3;1H
InChIKeyXCHSUMAGHLMOEM-UHFFFAOYSA-N
XLogP2.62
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(8-methoxy-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365618
[3-(aminomethyl)pyrrolidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride
CID 119483721
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 119434924
N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide
CID 22578405
[2-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 63255158
(8-methoxy-2H-chromen-3-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971286
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride
CID 120658309
(8-methoxy-2H-chromen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95308857
8-methoxy-2H-chromene-3-carboxylate
CID 6933959
N-(3-aminobutyl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119495370
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(8-methoxy-2H-chromen-3-yl)methanone
CID 120658310
[2-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride
CID 119435560

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride (CID 119434852) is [2-(1-aminoethyl)piperidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride is COc1cccc2c1OCC(C(=O)N1CCCCC1C(C)N)=C2.Cl.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride?
The InChIKey is XCHSUMAGHLMOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3.ClH/c1-12(19)15-7-3-4-9-20(15)18(21)14-10-13-6-5-8-16(22-2)17(13)23-11-14;/h5-6,8,10,12,15H,3-4,7,9,11,19H2,1-2H3;1H.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride?
[2-(1-aminoethyl)piperidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride has a molecular weight of 352.86 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119434852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).