(5-amino-2-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone

C17H26N2O — CID 63156762

IUPAC(5-amino-2-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone
SMILESCCC1(CC)CCN(C(=O)c2cc(N)ccc2C)CC1
InChIInChI=1S/C17H26N2O/c1-4-17(5-2)8-10-19(11-9-17)16(20)15-12-14(18)7-6-13(15)3/h6-7,12H,4-5,8-11,18H2,1-3H3
InChIKeyOSZPPGYBWRTZGW-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.62
Rot. Bonds3

About (5-amino-2-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone

(5-amino-2-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone (PubChem CID 63156762) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (5-amino-2-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone
PubChem CID63156762
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(5-amino-2-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone
SMILESCCC1(CC)CCN(C(=O)c2cc(N)ccc2C)CC1
InChIInChI=1S/C17H26N2O/c1-4-17(5-2)8-10-19(11-9-17)16(20)15-12-14(18)7-6-13(15)3/h6-7,12H,4-5,8-11,18H2,1-3H3
InChIKeyOSZPPGYBWRTZGW-UHFFFAOYSA-N
XLogP3.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.62
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

(5-amino-2-fluorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 63157430
(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 61289642
(5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504921
(2-amino-5-hydroxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107075240
[4-(5-amino-2-methylbenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 120622945
(5-amino-2-methylphenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107210135
(5-amino-2-methylphenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 63216056
(5-amino-2-methylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 61292135
(5-amino-2-methylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113416759
(5-amino-2-methylphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone;hydrochloride
CID 120638264
1-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-2-cyclohexylethanone
CID 120629969
(2-bromo-3-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107982520

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-2-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone (CID 63156762) is (5-amino-2-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-2-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone is CCC1(CC)CCN(C(=O)c2cc(N)ccc2C)CC1.
What is the InChIKey of (5-amino-2-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone?
The InChIKey is OSZPPGYBWRTZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-17(5-2)8-10-19(11-9-17)16(20)15-12-14(18)7-6-13(15)3/h6-7,12H,4-5,8-11,18H2,1-3H3.
What are the key properties of (5-amino-2-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone?
(5-amino-2-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone has a molecular weight of 274.41 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone is sourced from PubChem (CID 63156762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).