(4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone

C15H22N2O — CID 30076126

IUPAC(4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1N
InChIInChI=1S/C15H22N2O/c1-10-6-11(2)9-17(8-10)15(18)13-4-5-14(16)12(3)7-13/h4-5,7,10-11H,6,8-9,16H2,1-3H3/t10-,11-/m0/s1
InChIKeyPPIWNGPPLOBRNT-QWRGUYRKSA-N
MW246.35 g/mol
LogP2.70
Rot. Bonds1

About (4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone

(4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone (PubChem CID 30076126) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
PubChem CID30076126
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1N
InChIInChI=1S/C15H22N2O/c1-10-6-11(2)9-17(8-10)15(18)13-4-5-14(16)12(3)7-13/h4-5,7,10-11H,6,8-9,16H2,1-3H3/t10-,11-/m0/s1
InChIKeyPPIWNGPPLOBRNT-QWRGUYRKSA-N
XLogP2.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-amino-3-hydroxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 113228287
(3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103951623
(4-amino-3-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62987389
(3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 16786462
1-(4-amino-3-methylbenzoyl)pyrrolidine-3-carboxamide
CID 114081648
(3,5-dimethylpiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone
CID 2857981
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
(3-aminophenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 16795093
(4-amino-3-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103821216
[4-(4-amino-3-methylbenzoyl)piperazin-1-yl]-cyclopropylmethanone
CID 60939271
(3-amino-5-methylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 79993239
1-(3,4-dimethylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119496

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The IUPAC name of (4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone (CID 30076126) is (4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for (4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone is Cc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1N.
What is the InChIKey of (4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The InChIKey is PPIWNGPPLOBRNT-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-6-11(2)9-17(8-10)15(18)13-4-5-14(16)12(3)7-13/h4-5,7,10-11H,6,8-9,16H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of (4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone?
(4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone has a molecular weight of 246.35 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 30076126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).