2-(2,3-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine

C17H27FN2 — CID 114831347

IUPAC2-(2,3-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine
SMILESCC1CCCN(C(C)(CN)Cc2ccc(F)cc2)C1C
InChIInChI=1S/C17H27FN2/c1-13-5-4-10-20(14(13)2)17(3,12-19)11-15-6-8-16(18)9-7-15/h6-9,13-14H,4-5,10-12,19H2,1-3H3
InChIKeyWLPDWEDJWLMSBV-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.21
Rot. Bonds4

About 2-(2,3-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine

2-(2,3-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine (PubChem CID 114831347) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 2-(2,3-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2,3-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine
PubChem CID114831347
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name2-(2,3-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine
SMILESCC1CCCN(C(C)(CN)Cc2ccc(F)cc2)C1C
InChIInChI=1S/C17H27FN2/c1-13-5-4-10-20(14(13)2)17(3,12-19)11-15-6-8-16(18)9-7-15/h6-9,13-14H,4-5,10-12,19H2,1-3H3
InChIKeyWLPDWEDJWLMSBV-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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(2,3-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine (CID 114831347) is 2-(2,3-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(2,3-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(2,3-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine is CC1CCCN(C(C)(CN)Cc2ccc(F)cc2)C1C.
What is the InChIKey of 2-(2,3-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine?
The InChIKey is WLPDWEDJWLMSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-13-5-4-10-20(14(13)2)17(3,12-19)11-15-6-8-16(18)9-7-15/h6-9,13-14H,4-5,10-12,19H2,1-3H3.
What are the key properties of 2-(2,3-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine?
2-(2,3-dimethylpiperidin-1-yl)-3-(4-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-(2,3-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 114831347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).