(3-aminophenyl)-(3,5-dimethylpiperidin-1-yl)methanone

C14H20N2O — CID 16795093

IUPAC(3-aminophenyl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cccc(N)c2)C1
InChIInChI=1S/C14H20N2O/c1-10-6-11(2)9-16(8-10)14(17)12-4-3-5-13(15)7-12/h3-5,7,10-11H,6,8-9,15H2,1-2H3
InChIKeyNRYJKVJXOIMLCQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.39
Rot. Bonds1

About (3-aminophenyl)-(3,5-dimethylpiperidin-1-yl)methanone

(3-aminophenyl)-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 16795093) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (3-aminophenyl)-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID16795093
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(3-aminophenyl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cccc(N)c2)C1
InChIInChI=1S/C14H20N2O/c1-10-6-11(2)9-16(8-10)14(17)12-4-3-5-13(15)7-12/h3-5,7,10-11H,6,8-9,15H2,1-2H3
InChIKeyNRYJKVJXOIMLCQ-UHFFFAOYSA-N
XLogP2.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.39
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

(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
3-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43333169
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(3-aminophenyl)methanone;hydrochloride
CID 119788128
(4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 30076126
(4-amino-3-hydroxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 113228287
(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 19842351
(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
2-(3-aminophenyl)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 28689676
(3-aminophenyl)-(2-ethylthiomorpholin-4-yl)methanone;hydrochloride
CID 119791768
(3-aminophenyl)-thiomorpholin-4-ylmethanone
CID 28786527
(3-aminophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81095901
(3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 54904602

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (3-aminophenyl)-(3,5-dimethylpiperidin-1-yl)methanone (CID 16795093) is (3-aminophenyl)-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-aminophenyl)-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (3-aminophenyl)-(3,5-dimethylpiperidin-1-yl)methanone is CC1CC(C)CN(C(=O)c2cccc(N)c2)C1.
What is the InChIKey of (3-aminophenyl)-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is NRYJKVJXOIMLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-6-11(2)9-16(8-10)14(17)12-4-3-5-13(15)7-12/h3-5,7,10-11H,6,8-9,15H2,1-2H3.
What are the key properties of (3-aminophenyl)-(3,5-dimethylpiperidin-1-yl)methanone?
(3-aminophenyl)-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 232.33 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 16795093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).