(4-aminopiperidin-1-yl)-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone;hydrochloride

C16H23ClN2O3 — CID 119375217

IUPAC(4-aminopiperidin-1-yl)-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone;hydrochloride
SMILESCOc1ccc2c(c1)CC(C(=O)N1CCC(N)CC1)CO2.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-20-14-2-3-15-11(9-14)8-12(10-21-15)16(19)18-6-4-13(17)5-7-18;/h2-3,9,12-13H,4-8,10,17H2,1H3;1H
InChIKeyQQQZWHKLJJTSIS-UHFFFAOYSA-N
MW326.82 g/mol
LogP1.62
Rot. Bonds2

About (4-aminopiperidin-1-yl)-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone;hydrochloride

(4-aminopiperidin-1-yl)-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone;hydrochloride (PubChem CID 119375217) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone;hydrochloride
PubChem CID119375217
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name(4-aminopiperidin-1-yl)-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone;hydrochloride
SMILESCOc1ccc2c(c1)CC(C(=O)N1CCC(N)CC1)CO2.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-20-14-2-3-15-11(9-14)8-12(10-21-15)16(19)18-6-4-13(17)5-7-18;/h2-3,9,12-13H,4-8,10,17H2,1H3;1H
InChIKeyQQQZWHKLJJTSIS-UHFFFAOYSA-N
XLogP1.62
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 92615489
6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 47170033
(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397224
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone
CID 22578171
(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285
N-(2-aminoethyl)-1-(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxamide
CID 119481076
[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 92598542
[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-[4-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]methanone
CID 125008208
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone
CID 72925235
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 97149143
3,4-dihydro-2H-chromen-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18093513
(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119542766

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone;hydrochloride (CID 119375217) is (4-aminopiperidin-1-yl)-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone;hydrochloride is COc1ccc2c(c1)CC(C(=O)N1CCC(N)CC1)CO2.Cl.
What is the InChIKey of (4-aminopiperidin-1-yl)-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone;hydrochloride?
The InChIKey is QQQZWHKLJJTSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3.ClH/c1-20-14-2-3-15-11(9-14)8-12(10-21-15)16(19)18-6-4-13(17)5-7-18;/h2-3,9,12-13H,4-8,10,17H2,1H3;1H.
What are the key properties of (4-aminopiperidin-1-yl)-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone;hydrochloride?
(4-aminopiperidin-1-yl)-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone;hydrochloride has a molecular weight of 326.82 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119375217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).