(5-amino-2-methylphenyl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone

C17H26N2O2 — CID 120624806

IUPAC(5-amino-2-methylphenyl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone
SMILESCc1ccc(N)cc1C(=O)N1CCC(OCC(C)C)CC1
InChIInChI=1S/C17H26N2O2/c1-12(2)11-21-15-6-8-19(9-7-15)17(20)16-10-14(18)5-4-13(16)3/h4-5,10,12,15H,6-9,11,18H2,1-3H3
InChIKeyISMMIBOGSWGEOB-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.85
Rot. Bonds4

About (5-amino-2-methylphenyl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone

(5-amino-2-methylphenyl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone (PubChem CID 120624806) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (5-amino-2-methylphenyl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-2-methylphenyl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone
PubChem CID120624806
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(5-amino-2-methylphenyl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone
SMILESCc1ccc(N)cc1C(=O)N1CCC(OCC(C)C)CC1
InChIInChI=1S/C17H26N2O2/c1-12(2)11-21-15-6-8-19(9-7-15)17(20)16-10-14(18)5-4-13(16)3/h4-5,10,12,15H,6-9,11,18H2,1-3H3
InChIKeyISMMIBOGSWGEOB-UHFFFAOYSA-N
XLogP2.85
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504921
N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-2-methylpropanamide
CID 120623742
(5-amino-2-methylphenyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120632288
[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 120623759
(5-amino-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120641373
(5-amino-2-methylphenyl)-(4-methylazepan-1-yl)methanone;hydrochloride
CID 120626598
(5-amino-2-methylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113416759
(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 61289642
(5-amino-2-methylphenyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 120642745
1-(5-amino-2-methylbenzoyl)-N-propylpiperidine-4-carboxamide
CID 120619834
(5-amino-2-methylphenyl)-[4-(3,5-dimethoxyanilino)piperidin-1-yl]methanone;dihydrochloride
CID 120647636
(2-aminophenyl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
CID 119946020

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylphenyl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone?
The IUPAC name of (5-amino-2-methylphenyl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone (CID 120624806) is (5-amino-2-methylphenyl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (5-amino-2-methylphenyl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone?
The canonical SMILES for (5-amino-2-methylphenyl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone is Cc1ccc(N)cc1C(=O)N1CCC(OCC(C)C)CC1.
What is the InChIKey of (5-amino-2-methylphenyl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone?
The InChIKey is ISMMIBOGSWGEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)11-21-15-6-8-19(9-7-15)17(20)16-10-14(18)5-4-13(16)3/h4-5,10,12,15H,6-9,11,18H2,1-3H3.
What are the key properties of (5-amino-2-methylphenyl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone?
(5-amino-2-methylphenyl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone has a molecular weight of 290.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylphenyl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 120624806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).