1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride

C15H23ClN2O2 — CID 119517204

IUPAC1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)COc2ccccc2)CC1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-12(16)13-7-9-17(10-8-13)15(18)11-19-14-5-3-2-4-6-14;/h2-6,12-13H,7-11,16H2,1H3;1H
InChIKeyYUHNOPDUKSWMNK-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.07
Rot. Bonds4

About 1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride

1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride (PubChem CID 119517204) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride
PubChem CID119517204
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)COc2ccccc2)CC1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-12(16)13-7-9-17(10-8-13)15(18)11-19-14-5-3-2-4-6-14;/h2-6,12-13H,7-11,16H2,1H3;1H
InChIKeyYUHNOPDUKSWMNK-UHFFFAOYSA-N
XLogP2.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-ethylphenoxy)ethanone
CID 119517242
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone;hydrochloride
CID 119518980
N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673920
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chloro-4-fluorophenoxy)ethanone;hydrochloride
CID 119518644
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 112630530
2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119225453
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6-bromonaphthalen-2-yl)oxyethanone
CID 119519137
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(2-phenylphenoxy)propan-1-one;hydrochloride
CID 119519550
3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]butanoic acid
CID 119221159
ethyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 807888
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 119517254

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride?
The IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride (CID 119517204) is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride.
What is the SMILES notation for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride?
The canonical SMILES for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride is CC(N)C1CCN(C(=O)COc2ccccc2)CC1.Cl.
What is the InChIKey of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride?
The InChIKey is YUHNOPDUKSWMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-12(16)13-7-9-17(10-8-13)15(18)11-19-14-5-3-2-4-6-14;/h2-6,12-13H,7-11,16H2,1H3;1H.
What are the key properties of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride?
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride is sourced from PubChem (CID 119517204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).