3-(3,4-difluorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine

C16H24F2N2 — CID 84752076

IUPAC3-(3,4-difluorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine
SMILESCC1CCCN(C(C)(CN)Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C16H24F2N2/c1-12-4-3-7-20(10-12)16(2,11-19)9-13-5-6-14(17)15(18)8-13/h5-6,8,12H,3-4,7,9-11,19H2,1-2H3
InChIKeyWESTZHYNXUMFRT-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.96
Rot. Bonds4

About 3-(3,4-difluorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine

3-(3,4-difluorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine (PubChem CID 84752076) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine
PubChem CID84752076
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-(3,4-difluorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine
SMILESCC1CCCN(C(C)(CN)Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C16H24F2N2/c1-12-4-3-7-20(10-12)16(2,11-19)9-13-5-6-14(17)15(18)8-13/h5-6,8,12H,3-4,7,9-11,19H2,1-2H3
InChIKeyWESTZHYNXUMFRT-UHFFFAOYSA-N
XLogP2.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine
CID 84752060
2-methyl-2-(3-methylpiperidin-1-yl)butan-1-amine
CID 24693649
1-(3,4-difluorophenyl)-2-piperidin-1-ylpropan-2-amine
CID 84748274
3-(4-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 84752139
2-(2,3-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine
CID 114831347
3-(4-ethylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 84752283
2-(azepan-1-yl)-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 84752027
2-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-amine
CID 102964995
2-[3,5-difluoro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine
CID 63783199
2-[(3,4-difluorophenyl)methyl]-2-methylpentan-1-amine
CID 82930843
3-(3-fluorophenyl)-2-methyl-2-(1,4-thiazepan-4-yl)propan-1-amine
CID 114831170
2-(3,3-dimethylpiperidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine
CID 114831451

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine?
The IUPAC name of 3-(3,4-difluorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine (CID 84752076) is 3-(3,4-difluorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for 3-(3,4-difluorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine is CC1CCCN(C(C)(CN)Cc2ccc(F)c(F)c2)C1.
What is the InChIKey of 3-(3,4-difluorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine?
The InChIKey is WESTZHYNXUMFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-12-4-3-7-20(10-12)16(2,11-19)9-13-5-6-14(17)15(18)8-13/h5-6,8,12H,3-4,7,9-11,19H2,1-2H3.
What are the key properties of 3-(3,4-difluorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine?
3-(3,4-difluorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine has a molecular weight of 282.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 84752076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).