1-[(3S)-3-aminopiperidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one

C16H24N2O — CID 124628215

IUPAC1-[(3S)-3-aminopiperidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one
SMILESCc1ccc(CCC(=O)N2CCC[C@H](N)C2)c(C)c1
InChIInChI=1S/C16H24N2O/c1-12-5-6-14(13(2)10-12)7-8-16(19)18-9-3-4-15(17)11-18/h5-6,10,15H,3-4,7-9,11,17H2,1-2H3/t15-/m0/s1
InChIKeyWGTVXBBWWJPNTL-HNNXBMFYSA-N
MW260.38 g/mol
LogP2.19
Rot. Bonds3

About 1-[(3S)-3-aminopiperidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one

1-[(3S)-3-aminopiperidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one (PubChem CID 124628215) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[(3S)-3-aminopiperidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-aminopiperidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one
PubChem CID124628215
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[(3S)-3-aminopiperidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one
SMILESCc1ccc(CCC(=O)N2CCC[C@H](N)C2)c(C)c1
InChIInChI=1S/C16H24N2O/c1-12-5-6-14(13(2)10-12)7-8-16(19)18-9-3-4-15(17)11-18/h5-6,10,15H,3-4,7-9,11,17H2,1-2H3/t15-/m0/s1
InChIKeyWGTVXBBWWJPNTL-HNNXBMFYSA-N
XLogP2.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one
CID 124611243
3-(2,4-dimethylphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488419
1-(3-aminopiperidin-1-yl)-4-(4-methylphenyl)butan-1-one
CID 115277247
1-[(3S)-3-aminopiperidin-1-yl]-3-(2,5-dimethylphenoxy)propan-1-one
CID 124593638
1-(3-aminopiperidin-1-yl)-3-(2,3,5-trimethylphenoxy)propan-1-one
CID 119378169
1-(3-aminopiperidin-1-yl)-3-(2-bromophenyl)propan-1-one
CID 115277240
1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one
CID 115277223
1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one
CID 128986438
(2S)-4-[3-(2,4-dimethylphenyl)propanoyl]morpholine-2-carboxylic acid
CID 124696038
1-(3-aminopiperidin-1-yl)-3-(3,5-dimethoxyphenyl)propan-1-one;hydrochloride
CID 119378404
2-[4-[3-(2,4-dimethylphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248342
1-(3-aminopyrrolidin-1-yl)-3-(4-methylphenyl)propan-1-one;hydrochloride
CID 119482522

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-aminopiperidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one?
The IUPAC name of 1-[(3S)-3-aminopiperidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one (CID 124628215) is 1-[(3S)-3-aminopiperidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one.
What is the SMILES notation for 1-[(3S)-3-aminopiperidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one?
The canonical SMILES for 1-[(3S)-3-aminopiperidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one is Cc1ccc(CCC(=O)N2CCC[C@H](N)C2)c(C)c1.
What is the InChIKey of 1-[(3S)-3-aminopiperidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one?
The InChIKey is WGTVXBBWWJPNTL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-5-6-14(13(2)10-12)7-8-16(19)18-9-3-4-15(17)11-18/h5-6,10,15H,3-4,7-9,11,17H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[(3S)-3-aminopiperidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one?
1-[(3S)-3-aminopiperidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-aminopiperidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one is sourced from PubChem (CID 124628215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).