1-(2,6-difluoro-3-methylphenyl)-N-propan-2-ylpiperidin-3-amine

C15H22F2N2 — CID 82819911

IUPAC1-(2,6-difluoro-3-methylphenyl)-N-propan-2-ylpiperidin-3-amine
SMILESCc1ccc(F)c(N2CCCC(NC(C)C)C2)c1F
InChIInChI=1S/C15H22F2N2/c1-10(2)18-12-5-4-8-19(9-12)15-13(16)7-6-11(3)14(15)17/h6-7,10,12,18H,4-5,8-9H2,1-3H3
InChIKeyQFLXEVPQESUUBV-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.24
Rot. Bonds3

About 1-(2,6-difluoro-3-methylphenyl)-N-propan-2-ylpiperidin-3-amine

1-(2,6-difluoro-3-methylphenyl)-N-propan-2-ylpiperidin-3-amine (PubChem CID 82819911) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-N-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-N-propan-2-ylpiperidin-3-amine
PubChem CID82819911
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-N-propan-2-ylpiperidin-3-amine
SMILESCc1ccc(F)c(N2CCCC(NC(C)C)C2)c1F
InChIInChI=1S/C15H22F2N2/c1-10(2)18-12-5-4-8-19(9-12)15-13(16)7-6-11(3)14(15)17/h6-7,10,12,18H,4-5,8-9H2,1-3H3
InChIKeyQFLXEVPQESUUBV-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-N-propan-2-ylpiperidin-3-amine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-N-propan-2-ylpiperidin-3-amine (CID 82819911) is 1-(2,6-difluoro-3-methylphenyl)-N-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-N-propan-2-ylpiperidin-3-amine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-N-propan-2-ylpiperidin-3-amine is Cc1ccc(F)c(N2CCCC(NC(C)C)C2)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-N-propan-2-ylpiperidin-3-amine?
The InChIKey is QFLXEVPQESUUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-10(2)18-12-5-4-8-19(9-12)15-13(16)7-6-11(3)14(15)17/h6-7,10,12,18H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-N-propan-2-ylpiperidin-3-amine?
1-(2,6-difluoro-3-methylphenyl)-N-propan-2-ylpiperidin-3-amine has a molecular weight of 268.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-N-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 82819911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).