2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride

C15H23ClN2O2 — CID 120984914

IUPAC2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride
SMILESCOCC(N)C(=O)N1CCC(c2ccccc2)CC1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-19-11-14(16)15(18)17-9-7-13(8-10-17)12-5-3-2-4-6-12;/h2-6,13-14H,7-11,16H2,1H3;1H
InChIKeyRXONHABOBHSHNN-UHFFFAOYSA-N
MW298.81 g/mol
LogP1.79
Rot. Bonds4

About 2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride

2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride (PubChem CID 120984914) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride
PubChem CID120984914
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride
SMILESCOCC(N)C(=O)N1CCC(c2ccccc2)CC1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-19-11-14(16)15(18)17-9-7-13(8-10-17)12-5-3-2-4-6-12;/h2-6,13-14H,7-11,16H2,1H3;1H
InChIKeyRXONHABOBHSHNN-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;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

(2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 79024088
2-amino-5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-1-one
CID 81088436
2-amino-3-methoxy-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 120984965
(2S)-2-amino-4-methyl-1-(4-phenylazepan-1-yl)pentan-1-one;hydrochloride
CID 119770865
(2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one
CID 79023414
2-amino-1-(4-phenylazepan-1-yl)pentan-1-one
CID 119316138
(2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 61165041
2-amino-3-methoxy-1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 120991036
N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
CID 120984468
2-amino-2-phenyl-1-(4-phenylpiperidin-1-yl)ethanone
CID 119278410
2-amino-1-(3-benzylpiperidin-1-yl)-3-methoxypropan-1-one
CID 120989216
2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methoxypropan-1-one
CID 107217182

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride (CID 120984914) is 2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride is COCC(N)C(=O)N1CCC(c2ccccc2)CC1.Cl.
What is the InChIKey of 2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride?
The InChIKey is RXONHABOBHSHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-19-11-14(16)15(18)17-9-7-13(8-10-17)12-5-3-2-4-6-12;/h2-6,13-14H,7-11,16H2,1H3;1H.
What are the key properties of 2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride?
2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 120984914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).