(4-amino-3-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone

C16H24N2O — CID 103821216

IUPAC(4-amino-3-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(C(C)C)CC2)ccc1N
InChIInChI=1S/C16H24N2O/c1-11(2)13-6-8-18(9-7-13)16(19)14-4-5-15(17)12(3)10-14/h4-5,10-11,13H,6-9,17H2,1-3H3
InChIKeyISURVHSDVLQEAX-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.09
Rot. Bonds2

About (4-amino-3-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone

(4-amino-3-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 103821216) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (4-amino-3-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID103821216
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(4-amino-3-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(C(C)C)CC2)ccc1N
InChIInChI=1S/C16H24N2O/c1-11(2)13-6-8-18(9-7-13)16(19)14-4-5-15(17)12(3)10-14/h4-5,10-11,13H,6-9,17H2,1-3H3
InChIKeyISURVHSDVLQEAX-UHFFFAOYSA-N
XLogP3.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.09
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-bromophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495489
methyl 1-(4-amino-3-methylbenzoyl)piperidine-4-carboxylate
CID 61041768
[4-(4-amino-3-methylbenzoyl)piperazin-1-yl]-cyclopropylmethanone
CID 60939271
(4-amino-3-bromophenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835796
(4-amino-3-methoxyphenyl)-(4-propan-2-ylazepan-1-yl)methanone
CID 104782972
1-(4-amino-3-methylbenzoyl)pyrrolidine-3-carboxamide
CID 114081648
(4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 30076126
[4-(1-aminoethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone;hydrochloride
CID 119519504
(3,5-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025498
4-(4-amino-3-methylbenzoyl)piperazine-1-carbaldehyde
CID 28748690
3-(4-propan-2-ylpiperidine-1-carbonyl)benzoic acid
CID 103925973
(5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504921

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-3-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone (CID 103821216) is (4-amino-3-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-3-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone is Cc1cc(C(=O)N2CCC(C(C)C)CC2)ccc1N.
What is the InChIKey of (4-amino-3-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is ISURVHSDVLQEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)13-6-8-18(9-7-13)16(19)14-4-5-15(17)12(3)10-14/h4-5,10-11,13H,6-9,17H2,1-3H3.
What are the key properties of (4-amino-3-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
(4-amino-3-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 260.38 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 103821216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).