2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride

C22H29ClN2O2 — CID 120591375

IUPAC2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride
SMILESCOc1ccccc1CC1CCN(C(=O)C(C)(N)c2ccccc2)CC1.Cl
InChIInChI=1S/C22H28N2O2.ClH/c1-22(23,19-9-4-3-5-10-19)21(25)24-14-12-17(13-15-24)16-18-8-6-7-11-20(18)26-2;/h3-11,17H,12-16,23H2,1-2H3;1H
InChIKeyZQGZODNQUCVNJE-UHFFFAOYSA-N
MW388.94 g/mol
LogP3.77
Rot. Bonds5

About 2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride

2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride (PubChem CID 120591375) has the molecular formula C22H29ClN2O2 and a molecular weight of 388.94 g/mol. Its IUPAC name is 2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride
PubChem CID120591375
Molecular FormulaC22H29ClN2O2
Molecular Weight388.94 g/mol
Exact Mass388.19
IUPAC Name2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride
SMILESCOc1ccccc1CC1CCN(C(=O)C(C)(N)c2ccccc2)CC1.Cl
InChIInChI=1S/C22H28N2O2.ClH/c1-22(23,19-9-4-3-5-10-19)21(25)24-14-12-17(13-15-24)16-18-8-6-7-11-20(18)26-2;/h3-11,17H,12-16,23H2,1-2H3;1H
InChIKeyZQGZODNQUCVNJE-UHFFFAOYSA-N
XLogP3.77
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-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

(2S)-2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119769107
(1-aminocyclopropyl)-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 119769086
1-(2-amino-2-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 120589254
2-amino-1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-phenylpropan-1-one;hydrochloride
CID 120592459
2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 120595489
2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 120589033
4-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]pentan-1-one;hydrochloride
CID 120562065
1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 55564611
3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid
CID 119921488
2-amino-2-phenyl-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one
CID 120587581
N-[1-(2-amino-2-phenylpropanoyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
CID 120590583
2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 120593719

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride (CID 120591375) is 2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride is COc1ccccc1CC1CCN(C(=O)C(C)(N)c2ccccc2)CC1.Cl.
What is the InChIKey of 2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride?
The InChIKey is ZQGZODNQUCVNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2.ClH/c1-22(23,19-9-4-3-5-10-19)21(25)24-14-12-17(13-15-24)16-18-8-6-7-11-20(18)26-2;/h3-11,17H,12-16,23H2,1-2H3;1H.
What are the key properties of 2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride?
2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride has a molecular weight of 388.94 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 120591375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).