4-amino-1-[4-(dimethylamino)piperidin-1-yl]-4-phenylbutan-1-one

C17H27N3O — CID 63323897

IUPAC4-amino-1-[4-(dimethylamino)piperidin-1-yl]-4-phenylbutan-1-one
SMILESCN(C)C1CCN(C(=O)CCC(N)c2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-19(2)15-10-12-20(13-11-15)17(21)9-8-16(18)14-6-4-3-5-7-14/h3-7,15-16H,8-13,18H2,1-2H3
InChIKeyMQMDCBKSFIXUBZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.02
Rot. Bonds5

About 4-amino-1-[4-(dimethylamino)piperidin-1-yl]-4-phenylbutan-1-one

4-amino-1-[4-(dimethylamino)piperidin-1-yl]-4-phenylbutan-1-one (PubChem CID 63323897) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-amino-1-[4-(dimethylamino)piperidin-1-yl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-(dimethylamino)piperidin-1-yl]-4-phenylbutan-1-one
PubChem CID63323897
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-amino-1-[4-(dimethylamino)piperidin-1-yl]-4-phenylbutan-1-one
SMILESCN(C)C1CCN(C(=O)CCC(N)c2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-19(2)15-10-12-20(13-11-15)17(21)9-8-16(18)14-6-4-3-5-7-14/h3-7,15-16H,8-13,18H2,1-2H3
InChIKeyMQMDCBKSFIXUBZ-UHFFFAOYSA-N
XLogP2.02
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-1-one
CID 107217247
4-amino-1-(3-hydroxypyrrolidin-1-yl)-4-phenylbutan-1-one
CID 63323919
4-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 63978619
(4S)-4-amino-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-phenylbutan-1-one
CID 125146304
4-amino-1-(3-hydroxypiperidin-1-yl)-4-phenylbutan-1-one
CID 55204912
4-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-phenylbutan-1-one
CID 107220236
1-(4-amino-4-phenylbutanoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79371894
4-amino-1-(2,2-dimethylthiomorpholin-4-yl)-4-phenylbutan-1-one
CID 115740223
4-amino-1-(2-ethylmorpholin-4-yl)-4-phenylbutan-1-one
CID 63324245
4-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 107217065
2-chloro-1-[4-(dimethylamino)piperidin-1-yl]-2-phenylethanone
CID 43585921
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-4-phenylbutan-1-one
CID 65320455

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(dimethylamino)piperidin-1-yl]-4-phenylbutan-1-one?
The IUPAC name of 4-amino-1-[4-(dimethylamino)piperidin-1-yl]-4-phenylbutan-1-one (CID 63323897) is 4-amino-1-[4-(dimethylamino)piperidin-1-yl]-4-phenylbutan-1-one.
What is the SMILES notation for 4-amino-1-[4-(dimethylamino)piperidin-1-yl]-4-phenylbutan-1-one?
The canonical SMILES for 4-amino-1-[4-(dimethylamino)piperidin-1-yl]-4-phenylbutan-1-one is CN(C)C1CCN(C(=O)CCC(N)c2ccccc2)CC1.
What is the InChIKey of 4-amino-1-[4-(dimethylamino)piperidin-1-yl]-4-phenylbutan-1-one?
The InChIKey is MQMDCBKSFIXUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-19(2)15-10-12-20(13-11-15)17(21)9-8-16(18)14-6-4-3-5-7-14/h3-7,15-16H,8-13,18H2,1-2H3.
What are the key properties of 4-amino-1-[4-(dimethylamino)piperidin-1-yl]-4-phenylbutan-1-one?
4-amino-1-[4-(dimethylamino)piperidin-1-yl]-4-phenylbutan-1-one has a molecular weight of 289.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(dimethylamino)piperidin-1-yl]-4-phenylbutan-1-one is sourced from PubChem (CID 63323897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).