1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(difluoromethoxy)phenyl]propan-1-one;hydrochloride

C17H25ClF2N2O2 — CID 119436726

IUPAC1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(difluoromethoxy)phenyl]propan-1-one;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)CCc1ccc(OC(F)F)cc1.Cl
InChIInChI=1S/C17H24F2N2O2.ClH/c1-12(20)15-4-2-3-11-21(15)16(22)10-7-13-5-8-14(9-6-13)23-17(18)19;/h5-6,8-9,12,15,17H,2-4,7,10-11,20H2,1H3;1H
InChIKeyAVBOXDYIBGAAJP-UHFFFAOYSA-N
MW362.85 g/mol
LogP3.37
Rot. Bonds6

About 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(difluoromethoxy)phenyl]propan-1-one;hydrochloride

1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(difluoromethoxy)phenyl]propan-1-one;hydrochloride (PubChem CID 119436726) has the molecular formula C17H25ClF2N2O2 and a molecular weight of 362.85 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(difluoromethoxy)phenyl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(difluoromethoxy)phenyl]propan-1-one;hydrochloride
PubChem CID119436726
Molecular FormulaC17H25ClF2N2O2
Molecular Weight362.85 g/mol
Exact Mass362.16
IUPAC Name1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(difluoromethoxy)phenyl]propan-1-one;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)CCc1ccc(OC(F)F)cc1.Cl
InChIInChI=1S/C17H24F2N2O2.ClH/c1-12(20)15-4-2-3-11-21(15)16(22)10-7-13-5-8-14(9-6-13)23-17(18)19;/h5-6,8-9,12,15,17H,2-4,7,10-11,20H2,1H3;1H
InChIKeyAVBOXDYIBGAAJP-UHFFFAOYSA-N
XLogP3.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.85
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-aminoethyl)piperidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;hydrochloride
CID 119434972
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(4-methylphenyl)butan-1-one
CID 119437112
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(3-bromophenyl)propan-1-one;hydrochloride
CID 119436240
4-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride
CID 119435674
3-[4-(difluoromethoxy)phenyl]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119651072
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(2-phenylethoxy)butan-1-one
CID 119435548
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(4-fluorophenoxy)butan-1-one
CID 119435438
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(3-nitrophenyl)propan-1-one;hydrochloride
CID 119434799
1-[2-(1-aminoethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one;hydrochloride
CID 119435747
4-[3-oxo-3-(2-propan-2-ylpiperidin-1-yl)propyl]benzoic acid
CID 119185460
3-cyclopentyl-1-[4-[3-[4-(difluoromethoxy)phenyl]propanoyl]piperazin-1-yl]propan-1-one
CID 78851506
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride
CID 119435553

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(difluoromethoxy)phenyl]propan-1-one;hydrochloride?
The IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(difluoromethoxy)phenyl]propan-1-one;hydrochloride (CID 119436726) is 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(difluoromethoxy)phenyl]propan-1-one;hydrochloride.
What is the SMILES notation for 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(difluoromethoxy)phenyl]propan-1-one;hydrochloride?
The canonical SMILES for 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(difluoromethoxy)phenyl]propan-1-one;hydrochloride is CC(N)C1CCCCN1C(=O)CCc1ccc(OC(F)F)cc1.Cl.
What is the InChIKey of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(difluoromethoxy)phenyl]propan-1-one;hydrochloride?
The InChIKey is AVBOXDYIBGAAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O2.ClH/c1-12(20)15-4-2-3-11-21(15)16(22)10-7-13-5-8-14(9-6-13)23-17(18)19;/h5-6,8-9,12,15,17H,2-4,7,10-11,20H2,1H3;1H.
What are the key properties of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(difluoromethoxy)phenyl]propan-1-one;hydrochloride?
1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(difluoromethoxy)phenyl]propan-1-one;hydrochloride has a molecular weight of 362.85 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(difluoromethoxy)phenyl]propan-1-one;hydrochloride is sourced from PubChem (CID 119436726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).