3-fluoro-2-methyl-N-phenylpiperidin-1-amine

C12H17FN2 — CID 67995699

IUPAC3-fluoro-2-methyl-N-phenylpiperidin-1-amine
SMILESCC1C(F)CCCN1Nc1ccccc1
InChIInChI=1S/C12H17FN2/c1-10-12(13)8-5-9-15(10)14-11-6-3-2-4-7-11/h2-4,6-7,10,12,14H,5,8-9H2,1H3
InChIKeyYMWKLUKMFNAAHF-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.84
Rot. Bonds2

About 3-fluoro-2-methyl-N-phenylpiperidin-1-amine

3-fluoro-2-methyl-N-phenylpiperidin-1-amine (PubChem CID 67995699) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-fluoro-2-methyl-N-phenylpiperidin-1-amine.

Molecular Properties

Compound Name3-fluoro-2-methyl-N-phenylpiperidin-1-amine
PubChem CID67995699
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name3-fluoro-2-methyl-N-phenylpiperidin-1-amine
SMILESCC1C(F)CCCN1Nc1ccccc1
InChIInChI=1S/C12H17FN2/c1-10-12(13)8-5-9-15(10)14-11-6-3-2-4-7-11/h2-4,6-7,10,12,14H,5,8-9H2,1H3
InChIKeyYMWKLUKMFNAAHF-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-N-phenylpiperidin-1-amine?
The IUPAC name of 3-fluoro-2-methyl-N-phenylpiperidin-1-amine (CID 67995699) is 3-fluoro-2-methyl-N-phenylpiperidin-1-amine.
What is the SMILES notation for 3-fluoro-2-methyl-N-phenylpiperidin-1-amine?
The canonical SMILES for 3-fluoro-2-methyl-N-phenylpiperidin-1-amine is CC1C(F)CCCN1Nc1ccccc1.
What is the InChIKey of 3-fluoro-2-methyl-N-phenylpiperidin-1-amine?
The InChIKey is YMWKLUKMFNAAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-10-12(13)8-5-9-15(10)14-11-6-3-2-4-7-11/h2-4,6-7,10,12,14H,5,8-9H2,1H3.
What are the key properties of 3-fluoro-2-methyl-N-phenylpiperidin-1-amine?
3-fluoro-2-methyl-N-phenylpiperidin-1-amine has a molecular weight of 208.28 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-N-phenylpiperidin-1-amine is sourced from PubChem (CID 67995699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).