1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride

C21H27ClN2O — CID 119397483

IUPAC1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
SMILESCNCC1CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1.Cl
InChIInChI=1S/C21H26N2O.ClH/c1-22-15-17-9-8-14-23(16-17)21(24)20(18-10-4-2-5-11-18)19-12-6-3-7-13-19;/h2-7,10-13,17,20,22H,8-9,14-16H2,1H3;1H
InChIKeyHGIRHXXGCBVUNO-UHFFFAOYSA-N
MW358.91 g/mol
LogP3.70
Rot. Bonds5

About 1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride

1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride (PubChem CID 119397483) has the molecular formula C21H27ClN2O and a molecular weight of 358.91 g/mol. Its IUPAC name is 1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
PubChem CID119397483
Molecular FormulaC21H27ClN2O
Molecular Weight358.91 g/mol
Exact Mass358.18
IUPAC Name1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
SMILESCNCC1CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1.Cl
InChIInChI=1S/C21H26N2O.ClH/c1-22-15-17-9-8-14-23(16-17)21(24)20(18-10-4-2-5-11-18)19-12-6-3-7-13-19;/h2-7,10-13,17,20,22H,8-9,14-16H2,1H3;1H
InChIKeyHGIRHXXGCBVUNO-UHFFFAOYSA-N
XLogP3.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.91
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;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

3-amino-2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 122080186
2-(diethylamino)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone
CID 119396244
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylbutan-1-one
CID 63264037
1-[(3S)-3-methylpiperidin-1-yl]-2,2-diphenylethanone
CID 1292213
2-(2-ethylphenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone
CID 119397850
1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylsulfanylbutan-1-one
CID 119396836
[3-(methylaminomethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
CID 107024092
1-[3-(methylaminomethyl)piperidin-1-yl]-3,4-diphenylbutan-1-one
CID 119396870
2-(3,4-difluorophenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone
CID 119396272
1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one
CID 119398780
2-(4-benzylpiperidin-1-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119396797

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride?
The IUPAC name of 1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride (CID 119397483) is 1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride.
What is the SMILES notation for 1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride?
The canonical SMILES for 1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride is CNCC1CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1.Cl.
What is the InChIKey of 1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride?
The InChIKey is HGIRHXXGCBVUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O.ClH/c1-22-15-17-9-8-14-23(16-17)21(24)20(18-10-4-2-5-11-18)19-12-6-3-7-13-19;/h2-7,10-13,17,20,22H,8-9,14-16H2,1H3;1H.
What are the key properties of 1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride?
1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride has a molecular weight of 358.91 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride is sourced from PubChem (CID 119397483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).