[2-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride

C16H23ClF2N2O3 — CID 119435560

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride
SMILESCOc1ccc(C(=O)N2CCCCC2C(C)N)cc1OC(F)F.Cl
InChIInChI=1S/C16H22F2N2O3.ClH/c1-10(19)12-5-3-4-8-20(12)15(21)11-6-7-13(22-2)14(9-11)23-16(17)18;/h6-7,9-10,12,16H,3-5,8,19H2,1-2H3;1H
InChIKeyNOBOXZACAMVOHN-UHFFFAOYSA-N
MW364.82 g/mol
LogP3.06
Rot. Bonds5

About [2-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride

[2-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride (PubChem CID 119435560) has the molecular formula C16H23ClF2N2O3 and a molecular weight of 364.82 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride
PubChem CID119435560
Molecular FormulaC16H23ClF2N2O3
Molecular Weight364.82 g/mol
Exact Mass364.14
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride
SMILESCOc1ccc(C(=O)N2CCCCC2C(C)N)cc1OC(F)F.Cl
InChIInChI=1S/C16H22F2N2O3.ClH/c1-10(19)12-5-3-4-8-20(12)15(21)11-6-7-13(22-2)14(9-11)23-16(17)18;/h6-7,9-10,12,16H,3-5,8,19H2,1-2H3;1H
InChIKeyNOBOXZACAMVOHN-UHFFFAOYSA-N
XLogP3.06
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.82
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 63255158
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride
CID 119632145
[2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 119435295
[3-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride
CID 119594083
[2-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone
CID 119437301
[2-(1-aminoethyl)piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119436994
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(3-fluoro-4-methoxyphenyl)butane-1,4-dione;hydrochloride
CID 119435232
[4-(difluoromethoxy)-3-methoxyphenyl]-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 31796792
[2-(1-aminoethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119436639
[2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119437516
[2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119437061
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(3,5-dichloro-4-methoxyphenyl)methanone
CID 124685615

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride (CID 119435560) is [2-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride is COc1ccc(C(=O)N2CCCCC2C(C)N)cc1OC(F)F.Cl.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride?
The InChIKey is NOBOXZACAMVOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O3.ClH/c1-10(19)12-5-3-4-8-20(12)15(21)11-6-7-13(22-2)14(9-11)23-16(17)18;/h6-7,9-10,12,16H,3-5,8,19H2,1-2H3;1H.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride?
[2-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride has a molecular weight of 364.82 g/mol, XLogP of 3.06, 5 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]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride is sourced from PubChem (CID 119435560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).