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

C16H24N2O — CID 103504921

IUPAC(5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCc1ccc(N)cc1C(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C16H24N2O/c1-11(2)13-6-8-18(9-7-13)16(19)15-10-14(17)5-4-12(15)3/h4-5,10-11,13H,6-9,17H2,1-3H3
InChIKeyTYTCZAJNWQUFGZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.09
Rot. Bonds2

About (5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone

(5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 103504921) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID103504921
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCc1ccc(N)cc1C(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C16H24N2O/c1-11(2)13-6-8-18(9-7-13)16(19)15-10-14(17)5-4-12(15)3/h4-5,10-11,13H,6-9,17H2,1-3H3
InChIKeyTYTCZAJNWQUFGZ-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

(2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504947
N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-2-methylpropanamide
CID 120623742
(5-amino-2-methylphenyl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone
CID 120624806
(5-amino-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120641373
(5-amino-2-methylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113416759
(5-amino-2-methylphenyl)-(4-methylazepan-1-yl)methanone;hydrochloride
CID 120626598
(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 61289642
1-(5-amino-2-methylbenzoyl)-N-propylpiperidine-4-carboxamide
CID 120619834
(5-amino-2-methylphenyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 120642745
(5-amino-2-methylphenyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120632288
(5-amino-2-methyl-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504927
(6-amino-1H-indol-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504928

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone (CID 103504921) is (5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone is Cc1ccc(N)cc1C(=O)N1CCC(C(C)C)CC1.
What is the InChIKey of (5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is TYTCZAJNWQUFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)13-6-8-18(9-7-13)16(19)15-10-14(17)5-4-12(15)3/h4-5,10-11,13H,6-9,17H2,1-3H3.
What are the key properties of (5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
(5-amino-2-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 (5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 103504921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).