1-(3-aminopiperidin-1-yl)-4-(4-methylphenyl)butan-1-one

C16H24N2O — CID 115277247

IUPAC1-(3-aminopiperidin-1-yl)-4-(4-methylphenyl)butan-1-one
SMILESCc1ccc(CCCC(=O)N2CCCC(N)C2)cc1
InChIInChI=1S/C16H24N2O/c1-13-7-9-14(10-8-13)4-2-6-16(19)18-11-3-5-15(17)12-18/h7-10,15H,2-6,11-12,17H2,1H3
InChIKeyLAKDKUIBCSJRHQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.27
Rot. Bonds4

About 1-(3-aminopiperidin-1-yl)-4-(4-methylphenyl)butan-1-one

1-(3-aminopiperidin-1-yl)-4-(4-methylphenyl)butan-1-one (PubChem CID 115277247) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-4-(4-methylphenyl)butan-1-one.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-4-(4-methylphenyl)butan-1-one
PubChem CID115277247
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(3-aminopiperidin-1-yl)-4-(4-methylphenyl)butan-1-one
SMILESCc1ccc(CCCC(=O)N2CCCC(N)C2)cc1
InChIInChI=1S/C16H24N2O/c1-13-7-9-14(10-8-13)4-2-6-16(19)18-11-3-5-15(17)12-18/h7-10,15H,2-6,11-12,17H2,1H3
InChIKeyLAKDKUIBCSJRHQ-UHFFFAOYSA-N
XLogP2.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-3-aminopiperidin-1-yl]-4-(4-chlorophenyl)butan-1-one;hydrochloride
CID 154895459
1-(3-aminopyrrolidin-1-yl)-3-(4-methylphenyl)propan-1-one;hydrochloride
CID 119482522
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 119379387
1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one
CID 115277223
1-(3-aminopiperidin-1-yl)-4-(3,4-dichlorophenyl)butan-1-one;hydrochloride
CID 119379855
1-[3-(bromomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 80660782
1-[(3S)-3-aminopiperidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one
CID 124628215
1-(3-aminopiperidin-1-yl)-2-(4-butylphenyl)ethanone;hydrochloride
CID 119381458
1-(3-aminopiperidin-1-yl)-4-(4-pentylphenyl)butane-1,4-dione;hydrochloride
CID 119380450
1-(3-aminopiperidin-1-yl)-4-(9H-fluoren-3-yl)butan-1-one
CID 119381181
methyl 4-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]benzoate
CID 167311588
1-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methylphenyl)pentan-1-one
CID 111561727

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-4-(4-methylphenyl)butan-1-one?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-4-(4-methylphenyl)butan-1-one (CID 115277247) is 1-(3-aminopiperidin-1-yl)-4-(4-methylphenyl)butan-1-one.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-4-(4-methylphenyl)butan-1-one?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-4-(4-methylphenyl)butan-1-one is Cc1ccc(CCCC(=O)N2CCCC(N)C2)cc1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-4-(4-methylphenyl)butan-1-one?
The InChIKey is LAKDKUIBCSJRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-7-9-14(10-8-13)4-2-6-16(19)18-11-3-5-15(17)12-18/h7-10,15H,2-6,11-12,17H2,1H3.
What are the key properties of 1-(3-aminopiperidin-1-yl)-4-(4-methylphenyl)butan-1-one?
1-(3-aminopiperidin-1-yl)-4-(4-methylphenyl)butan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-4-(4-methylphenyl)butan-1-one is sourced from PubChem (CID 115277247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).