4-[3-fluoro-2-(3-fluoropropyl)phenyl]-1-methylpiperidine

C15H21F2N — CID 70262177

IUPAC4-[3-fluoro-2-(3-fluoropropyl)phenyl]-1-methylpiperidine
SMILESCN1CCC(c2cccc(F)c2CCCF)CC1
InChIInChI=1S/C15H21F2N/c1-18-10-7-12(8-11-18)13-4-2-6-15(17)14(13)5-3-9-16/h2,4,6,12H,3,5,7-11H2,1H3
InChIKeyRCKYLTNJNRCYMF-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.54
Rot. Bonds4

About 4-[3-fluoro-2-(3-fluoropropyl)phenyl]-1-methylpiperidine

4-[3-fluoro-2-(3-fluoropropyl)phenyl]-1-methylpiperidine (PubChem CID 70262177) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-[3-fluoro-2-(3-fluoropropyl)phenyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[3-fluoro-2-(3-fluoropropyl)phenyl]-1-methylpiperidine
PubChem CID70262177
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name4-[3-fluoro-2-(3-fluoropropyl)phenyl]-1-methylpiperidine
SMILESCN1CCC(c2cccc(F)c2CCCF)CC1
InChIInChI=1S/C15H21F2N/c1-18-10-7-12(8-11-18)13-4-2-6-15(17)14(13)5-3-9-16/h2,4,6,12H,3,5,7-11H2,1H3
InChIKeyRCKYLTNJNRCYMF-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[3-fluoro-2-(3-fluoropropyl)phenyl]-1-methylpiperidine 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

4-(2,3-difluorophenyl)-1-methylpiperidine
CID 57438792
4-[3-fluoro-2-(2-fluoroethoxy)phenyl]-1-methylpiperidine
CID 58103909
1-cyclopropyl-3-fluoro-2-propylbenzene
CID 143129340
4-[2-(2-fluoroethyl)phenyl]-1-methylpiperidine
CID 58103875
4-(3-fluoro-2-methoxyphenyl)-1-methylpiperidine
CID 58103915
3-(2,3-difluorophenyl)-1-methylpyrrolidine
CID 67174874
2-fluoro-3-(1-methylpiperidin-4-yl)benzonitrile
CID 11535874
1-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-ol
CID 117365849
3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine
CID 117337018
[2-(1-methylazepan-4-yl)phenyl]methanamine
CID 83836854
4-(2,3-dimethyl-1-benzofuran-4-yl)-1-methylpiperidine
CID 23468855
4-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-4-ol
CID 114930983

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-2-(3-fluoropropyl)phenyl]-1-methylpiperidine?
The IUPAC name of 4-[3-fluoro-2-(3-fluoropropyl)phenyl]-1-methylpiperidine (CID 70262177) is 4-[3-fluoro-2-(3-fluoropropyl)phenyl]-1-methylpiperidine.
What is the SMILES notation for 4-[3-fluoro-2-(3-fluoropropyl)phenyl]-1-methylpiperidine?
The canonical SMILES for 4-[3-fluoro-2-(3-fluoropropyl)phenyl]-1-methylpiperidine is CN1CCC(c2cccc(F)c2CCCF)CC1.
What is the InChIKey of 4-[3-fluoro-2-(3-fluoropropyl)phenyl]-1-methylpiperidine?
The InChIKey is RCKYLTNJNRCYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-18-10-7-12(8-11-18)13-4-2-6-15(17)14(13)5-3-9-16/h2,4,6,12H,3,5,7-11H2,1H3.
What are the key properties of 4-[3-fluoro-2-(3-fluoropropyl)phenyl]-1-methylpiperidine?
4-[3-fluoro-2-(3-fluoropropyl)phenyl]-1-methylpiperidine has a molecular weight of 253.34 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-2-(3-fluoropropyl)phenyl]-1-methylpiperidine is sourced from PubChem (CID 70262177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).