2-(3,3-dimethylpiperidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine

C17H27FN2 — CID 114831451

IUPAC2-(3,3-dimethylpiperidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine
SMILESCC1(C)CCCN(C(C)(CN)Cc2cccc(F)c2)C1
InChIInChI=1S/C17H27FN2/c1-16(2)8-5-9-20(13-16)17(3,12-19)11-14-6-4-7-15(18)10-14/h4,6-7,10H,5,8-9,11-13,19H2,1-3H3
InChIKeyFOKZFGAUTZWDMQ-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.21
Rot. Bonds4

About 2-(3,3-dimethylpiperidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine

2-(3,3-dimethylpiperidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine (PubChem CID 114831451) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 2-(3,3-dimethylpiperidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3,3-dimethylpiperidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine
PubChem CID114831451
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name2-(3,3-dimethylpiperidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine
SMILESCC1(C)CCCN(C(C)(CN)Cc2cccc(F)c2)C1
InChIInChI=1S/C17H27FN2/c1-16(2)8-5-9-20(13-16)17(3,12-19)11-14-6-4-7-15(18)10-14/h4,6-7,10H,5,8-9,11-13,19H2,1-3H3
InChIKeyFOKZFGAUTZWDMQ-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,3-dimethylpiperidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-fluorophenyl)-2-methyl-2-(1,4-thiazepan-4-yl)propan-1-amine
CID 114831170
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine
CID 114831379
2-(2-ethylpyrrolidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine
CID 114831157
2-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-amine
CID 55150857
2-(2,3-dimethylthiomorpholin-4-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine
CID 114831741
3-(azepan-1-yl)-1-(3-fluorophenyl)-3-methylbutan-2-amine
CID 79051816
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
2-cyclopentyl-1-(3-fluorophenyl)propan-2-amine
CID 114834091
3-(3-ethoxyphenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
CID 84752180
3-(3-amino-2-methyl-2-piperazin-1-ylpropyl)phenol
CID 84752324
(3S)-1-[2-(3-fluorophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 129485444
[1-(3-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105239805

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpiperidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(3,3-dimethylpiperidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine (CID 114831451) is 2-(3,3-dimethylpiperidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(3,3-dimethylpiperidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(3,3-dimethylpiperidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine is CC1(C)CCCN(C(C)(CN)Cc2cccc(F)c2)C1.
What is the InChIKey of 2-(3,3-dimethylpiperidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine?
The InChIKey is FOKZFGAUTZWDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-16(2)8-5-9-20(13-16)17(3,12-19)11-14-6-4-7-15(18)10-14/h4,6-7,10H,5,8-9,11-13,19H2,1-3H3.
What are the key properties of 2-(3,3-dimethylpiperidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine?
2-(3,3-dimethylpiperidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine has a molecular weight of 278.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpiperidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 114831451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).