4-methyl-1-[4-(methylamino)piperidin-1-yl]-3-phenylpentan-1-one;hydrochloride

C18H29ClN2O — CID 119560060

IUPAC4-methyl-1-[4-(methylamino)piperidin-1-yl]-3-phenylpentan-1-one;hydrochloride
SMILESCNC1CCN(C(=O)CC(c2ccccc2)C(C)C)CC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-14(2)17(15-7-5-4-6-8-15)13-18(21)20-11-9-16(19-3)10-12-20;/h4-8,14,16-17,19H,9-13H2,1-3H3;1H
InChIKeyWRDKJWRQIMYBRZ-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.45
Rot. Bonds5

About 4-methyl-1-[4-(methylamino)piperidin-1-yl]-3-phenylpentan-1-one;hydrochloride

4-methyl-1-[4-(methylamino)piperidin-1-yl]-3-phenylpentan-1-one;hydrochloride (PubChem CID 119560060) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 4-methyl-1-[4-(methylamino)piperidin-1-yl]-3-phenylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name4-methyl-1-[4-(methylamino)piperidin-1-yl]-3-phenylpentan-1-one;hydrochloride
PubChem CID119560060
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name4-methyl-1-[4-(methylamino)piperidin-1-yl]-3-phenylpentan-1-one;hydrochloride
SMILESCNC1CCN(C(=O)CC(c2ccccc2)C(C)C)CC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-14(2)17(15-7-5-4-6-8-15)13-18(21)20-11-9-16(19-3)10-12-20;/h4-8,14,16-17,19H,9-13H2,1-3H3;1H
InChIKeyWRDKJWRQIMYBRZ-UHFFFAOYSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride
CID 119561474
1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 119563055
N-[3-[4-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 119561695
4-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpentan-1-one
CID 110620002
1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119562554
1-[4-(methylamino)piperidin-1-yl]-2-(2-methylphenyl)sulfanylethanone;hydrochloride
CID 119560859
3-hydroxy-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 54408346
N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide
CID 51093701
1-[4-(methylamino)piperidin-1-yl]-3-[3-(trifluoromethyl)phenyl]butan-1-one
CID 119560149
1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one
CID 119560444
3-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119755729
1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one
CID 72638559

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(methylamino)piperidin-1-yl]-3-phenylpentan-1-one;hydrochloride?
The IUPAC name of 4-methyl-1-[4-(methylamino)piperidin-1-yl]-3-phenylpentan-1-one;hydrochloride (CID 119560060) is 4-methyl-1-[4-(methylamino)piperidin-1-yl]-3-phenylpentan-1-one;hydrochloride.
What is the SMILES notation for 4-methyl-1-[4-(methylamino)piperidin-1-yl]-3-phenylpentan-1-one;hydrochloride?
The canonical SMILES for 4-methyl-1-[4-(methylamino)piperidin-1-yl]-3-phenylpentan-1-one;hydrochloride is CNC1CCN(C(=O)CC(c2ccccc2)C(C)C)CC1.Cl.
What is the InChIKey of 4-methyl-1-[4-(methylamino)piperidin-1-yl]-3-phenylpentan-1-one;hydrochloride?
The InChIKey is WRDKJWRQIMYBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-14(2)17(15-7-5-4-6-8-15)13-18(21)20-11-9-16(19-3)10-12-20;/h4-8,14,16-17,19H,9-13H2,1-3H3;1H.
What are the key properties of 4-methyl-1-[4-(methylamino)piperidin-1-yl]-3-phenylpentan-1-one;hydrochloride?
4-methyl-1-[4-(methylamino)piperidin-1-yl]-3-phenylpentan-1-one;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(methylamino)piperidin-1-yl]-3-phenylpentan-1-one;hydrochloride is sourced from PubChem (CID 119560060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).