(2R,5S)-2-(4-chloro-3-fluorophenyl)-5-methylpiperidine

C12H15ClFN — CID 170904340

IUPAC(2R,5S)-2-(4-chloro-3-fluorophenyl)-5-methylpiperidine
SMILESC[C@H]1CC[C@H](c2ccc(Cl)c(F)c2)NC1
InChIInChI=1S/C12H15ClFN/c1-8-2-5-12(15-7-8)9-3-4-10(13)11(14)6-9/h3-4,6,8,12,15H,2,5,7H2,1H3/t8-,12+/m0/s1
InChIKeyFVCYJKKADIAFSU-QPUJVOFHSA-N
MW227.71 g/mol
LogP3.54
Rot. Bonds1

About (2R,5S)-2-(4-chloro-3-fluorophenyl)-5-methylpiperidine

(2R,5S)-2-(4-chloro-3-fluorophenyl)-5-methylpiperidine (PubChem CID 170904340) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is (2R,5S)-2-(4-chloro-3-fluorophenyl)-5-methylpiperidine.

Molecular Properties

Compound Name(2R,5S)-2-(4-chloro-3-fluorophenyl)-5-methylpiperidine
PubChem CID170904340
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name(2R,5S)-2-(4-chloro-3-fluorophenyl)-5-methylpiperidine
SMILESC[C@H]1CC[C@H](c2ccc(Cl)c(F)c2)NC1
InChIInChI=1S/C12H15ClFN/c1-8-2-5-12(15-7-8)9-3-4-10(13)11(14)6-9/h3-4,6,8,12,15H,2,5,7H2,1H3/t8-,12+/m0/s1
InChIKeyFVCYJKKADIAFSU-QPUJVOFHSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-(5-methylpiperidin-2-yl)phenol
CID 164750952
6-(4-chloro-3-fluorophenyl)-2,2-dimethylpiperazine
CID 82386691
2-(3-cyclobutylphenyl)-5-methylpiperidine
CID 114606010
2-(2-chlorophenyl)-5-methylpiperidine
CID 84723051
3-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]pyridine
CID 169114355
4-[(2S,5R)-5-methylpiperidin-2-yl]-2-propan-2-ylphenol
CID 164753784
6-(5-methylpiperidin-2-yl)-2,3-dihydroisoindol-1-one
CID 164752596
(2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine
CID 169114751
5-(5-methylpiperidin-2-yl)-1,3-benzothiazole
CID 164750446
(4S)-4-(4-chloro-3-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184050
3-methyl-7-[(2R,5S)-5-methylpiperidin-2-yl]quinoline
CID 169113739
2-methyl-6-(5-methylpiperidin-2-yl)indazole
CID 171618705

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-(4-chloro-3-fluorophenyl)-5-methylpiperidine?
The IUPAC name of (2R,5S)-2-(4-chloro-3-fluorophenyl)-5-methylpiperidine (CID 170904340) is (2R,5S)-2-(4-chloro-3-fluorophenyl)-5-methylpiperidine.
What is the SMILES notation for (2R,5S)-2-(4-chloro-3-fluorophenyl)-5-methylpiperidine?
The canonical SMILES for (2R,5S)-2-(4-chloro-3-fluorophenyl)-5-methylpiperidine is C[C@H]1CC[C@H](c2ccc(Cl)c(F)c2)NC1.
What is the InChIKey of (2R,5S)-2-(4-chloro-3-fluorophenyl)-5-methylpiperidine?
The InChIKey is FVCYJKKADIAFSU-QPUJVOFHSA-N. The full InChI is InChI=1S/C12H15ClFN/c1-8-2-5-12(15-7-8)9-3-4-10(13)11(14)6-9/h3-4,6,8,12,15H,2,5,7H2,1H3/t8-,12+/m0/s1.
What are the key properties of (2R,5S)-2-(4-chloro-3-fluorophenyl)-5-methylpiperidine?
(2R,5S)-2-(4-chloro-3-fluorophenyl)-5-methylpiperidine has a molecular weight of 227.71 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(4-chloro-3-fluorophenyl)-5-methylpiperidine is sourced from PubChem (CID 170904340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).