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

C16H23ClF2N2O3 — CID 119594083

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride
SMILESCOc1ccc(C(=O)N2CCCC(C(C)N)C2)cc1OC(F)F.Cl
InChIInChI=1S/C16H22F2N2O3.ClH/c1-10(19)12-4-3-7-20(9-12)15(21)11-5-6-13(22-2)14(8-11)23-16(17)18;/h5-6,8,10,12,16H,3-4,7,9,19H2,1-2H3;1H
InChIKeyPBRINPGNKWSHRI-UHFFFAOYSA-N
MW364.82 g/mol
LogP2.92
Rot. Bonds5

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

[3-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride (PubChem CID 119594083) has the molecular formula C16H23ClF2N2O3 and a molecular weight of 364.82 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride
PubChem CID119594083
Molecular FormulaC16H23ClF2N2O3
Molecular Weight364.82 g/mol
Exact Mass364.14
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride
SMILESCOc1ccc(C(=O)N2CCCC(C(C)N)C2)cc1OC(F)F.Cl
InChIInChI=1S/C16H22F2N2O3.ClH/c1-10(19)12-4-3-7-20(9-12)15(21)11-5-6-13(22-2)14(8-11)23-16(17)18;/h5-6,8,10,12,16H,3-4,7,9,19H2,1-2H3;1H
InChIKeyPBRINPGNKWSHRI-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride
CID 119595025
[4-(difluoromethoxy)-3-methoxyphenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493318
[3-(1-aminoethyl)piperidin-1-yl]-(4-butoxy-3-methoxyphenyl)methanone;hydrochloride
CID 119594927
[3-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-nitrophenyl)methanone;hydrochloride
CID 119594599
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride
CID 119632145
[2-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride
CID 119435560
[3-(1-aminoethyl)piperidin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 119594892
[3-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119592720
N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride
CID 119593154
[3-(1-aminoethyl)piperidin-1-yl]-(4-butoxy-3-ethoxyphenyl)methanone;hydrochloride
CID 119594830
3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119595557
(4-aminopiperidin-1-yl)-[4-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride
CID 119376566

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride (CID 119594083) is [3-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride is COc1ccc(C(=O)N2CCCC(C(C)N)C2)cc1OC(F)F.Cl.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride?
The InChIKey is PBRINPGNKWSHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O3.ClH/c1-10(19)12-4-3-7-20(9-12)15(21)11-5-6-13(22-2)14(8-11)23-16(17)18;/h5-6,8,10,12,16H,3-4,7,9,19H2,1-2H3;1H.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride?
[3-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride has a molecular weight of 364.82 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride is sourced from PubChem (CID 119594083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).