(2S)-2-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride

C21H27ClN2O2 — CID 119292093

IUPAC(2S)-2-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
SMILESCc1ccc(OC2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-16-7-9-18(10-8-16)25-19-11-13-23(14-12-19)21(24)20(22)15-17-5-3-2-4-6-17;/h2-10,19-20H,11-15,22H2,1H3;1H/t20-;/m0./s1
InChIKeyFFYBDYKGZMYBJG-BDQAORGHSA-N
MW374.91 g/mol
LogP3.36
Rot. Bonds5

About (2S)-2-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride

(2S)-2-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride (PubChem CID 119292093) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
PubChem CID119292093
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name(2S)-2-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
SMILESCc1ccc(OC2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-16-7-9-18(10-8-16)25-19-11-13-23(14-12-19)21(24)20(22)15-17-5-3-2-4-6-17;/h2-10,19-20H,11-15,22H2,1H3;1H/t20-;/m0./s1
InChIKeyFFYBDYKGZMYBJG-BDQAORGHSA-N
XLogP3.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-phenylpropan-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

2-amino-1-[4-(3-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 154895868
(2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 103532839
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119303310
3-amino-2-methoxy-1-(4-phenoxypiperidin-1-yl)propan-1-one
CID 106111809
(2R)-2-amino-3-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]propan-1-one;hydrochloride
CID 154897114
(2R)-2-amino-1-[(3R)-3-(2-methylpropoxy)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124681786
(2S)-2-amino-4-methylsulfanyl-1-(4-phenoxypiperidin-1-yl)butan-1-one
CID 61177928
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406
(2S)-2-amino-1-(4-ethenylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119323399
(2S)-2-amino-1-(azetidin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 150668199
2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 119290335

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride (CID 119292093) is (2S)-2-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride is Cc1ccc(OC2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)cc1.Cl.
What is the InChIKey of (2S)-2-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride?
The InChIKey is FFYBDYKGZMYBJG-BDQAORGHSA-N. The full InChI is InChI=1S/C21H26N2O2.ClH/c1-16-7-9-18(10-8-16)25-19-11-13-23(14-12-19)21(24)20(22)15-17-5-3-2-4-6-17;/h2-10,19-20H,11-15,22H2,1H3;1H/t20-;/m0./s1.
What are the key properties of (2S)-2-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride?
(2S)-2-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride has a molecular weight of 374.91 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 119292093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).