2-(4-cyclopropylphenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride

C17H25ClN2O — CID 170984520

IUPAC2-(4-cyclopropylphenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
SMILESCNC1CCN(C(=O)Cc2ccc(C3CC3)cc2)CC1.Cl
InChIInChI=1S/C17H24N2O.ClH/c1-18-16-8-10-19(11-9-16)17(20)12-13-2-4-14(5-3-13)15-6-7-15;/h2-5,15-16,18H,6-12H2,1H3;1H
InChIKeyOIQWRUGSGPIIBK-UHFFFAOYSA-N
MW308.85 g/mol
LogP2.74
Rot. Bonds4

About 2-(4-cyclopropylphenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride

2-(4-cyclopropylphenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride (PubChem CID 170984520) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
PubChem CID170984520
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name2-(4-cyclopropylphenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
SMILESCNC1CCN(C(=O)Cc2ccc(C3CC3)cc2)CC1.Cl
InChIInChI=1S/C17H24N2O.ClH/c1-18-16-8-10-19(11-9-16)17(20)12-13-2-4-14(5-3-13)15-6-7-15;/h2-5,15-16,18H,6-12H2,1H3;1H
InChIKeyOIQWRUGSGPIIBK-UHFFFAOYSA-N
XLogP2.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119563636
1-[4-(methylamino)piperidin-1-yl]-2-(4-nitrophenyl)ethanone;hydrochloride
CID 119562587
2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119562540
2-[4-(difluoromethylsulfonyl)phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119561309
2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119562541
1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone
CID 119562932
2-(3-bromo-4-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 176515965
2-(4-cyclohexylphenyl)-1-morpholin-4-ylethanone
CID 110767551
2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260723
1-[4-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one;hydrochloride
CID 119559786
N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]acetamide
CID 49348733
ethyl 4-[2-(4-cyclohexylphenyl)acetyl]piperazine-1-carboxylate
CID 110803487

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(4-cyclopropylphenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride (CID 170984520) is 2-(4-cyclopropylphenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(4-cyclopropylphenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride is CNC1CCN(C(=O)Cc2ccc(C3CC3)cc2)CC1.Cl.
What is the InChIKey of 2-(4-cyclopropylphenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is OIQWRUGSGPIIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.ClH/c1-18-16-8-10-19(11-9-16)17(20)12-13-2-4-14(5-3-13)15-6-7-15;/h2-5,15-16,18H,6-12H2,1H3;1H.
What are the key properties of 2-(4-cyclopropylphenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
2-(4-cyclopropylphenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 170984520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).