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

C16H25ClN2O — CID 119561474

IUPAC1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride
SMILESCNC1CCN(C(=O)CC(C)c2ccccc2)CC1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-13(14-6-4-3-5-7-14)12-16(19)18-10-8-15(17-2)9-11-18;/h3-7,13,15,17H,8-12H2,1-2H3;1H
InChIKeyDXKOXVQPYHTNIB-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.81
Rot. Bonds4

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

1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride (PubChem CID 119561474) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride
PubChem CID119561474
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride
SMILESCNC1CCN(C(=O)CC(C)c2ccccc2)CC1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-13(14-6-4-3-5-7-14)12-16(19)18-10-8-15(17-2)9-11-18;/h3-7,13,15,17H,8-12H2,1-2H3;1H
InChIKeyDXKOXVQPYHTNIB-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-[4-(methylamino)piperidin-1-yl]-3-phenylpentan-1-one;hydrochloride
CID 119560060
1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 119563055
1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one
CID 72638559
N-[3-[4-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 119561695
1-[4-(methylamino)piperidin-1-yl]-3-[3-(trifluoromethyl)phenyl]butan-1-one
CID 119560149
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015
N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
CID 17409720
(3S)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenylbutan-1-one
CID 129471018
3-phenyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119401565
1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119562554
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one;hydrochloride
CID 119622481
2,2-dimethyl-1-[4-(3-phenylbutanoyl)piperazin-1-yl]propan-1-one
CID 134021523

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride?
The IUPAC name of 1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride (CID 119561474) is 1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride is CNC1CCN(C(=O)CC(C)c2ccccc2)CC1.Cl.
What is the InChIKey of 1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride?
The InChIKey is DXKOXVQPYHTNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-13(14-6-4-3-5-7-14)12-16(19)18-10-8-15(17-2)9-11-18;/h3-7,13,15,17H,8-12H2,1-2H3;1H.
What are the key properties of 1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride?
1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride is sourced from PubChem (CID 119561474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).