(2S)-1-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine

C14H19ClFN — CID 176781027

IUPAC(2S)-1-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine
SMILESC[C@H]1CCCCN1CCc1ccc(F)cc1Cl
InChIInChI=1S/C14H19ClFN/c1-11-4-2-3-8-17(11)9-7-12-5-6-13(16)10-14(12)15/h5-6,10-11H,2-4,7-9H2,1H3/t11-/m0/s1
InChIKeyGIHIFJDXXZSDIQ-NSHDSACASA-N
MW255.76 g/mol
LogP3.90
Rot. Bonds3

About (2S)-1-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine

(2S)-1-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine (PubChem CID 176781027) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is (2S)-1-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine.

Molecular Properties

Compound Name(2S)-1-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine
PubChem CID176781027
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name(2S)-1-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine
SMILESC[C@H]1CCCCN1CCc1ccc(F)cc1Cl
InChIInChI=1S/C14H19ClFN/c1-11-4-2-3-8-17(11)9-7-12-5-6-13(16)10-14(12)15/h5-6,10-11H,2-4,7-9H2,1H3/t11-/m0/s1
InChIKeyGIHIFJDXXZSDIQ-NSHDSACASA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2,5-difluorophenyl)ethyl]-2-methylpiperidine
CID 155721139
(2S,4R)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-N,1,2-trimethylpiperidin-4-amine
CID 124863043
[2-[2-(2-methylazepan-1-yl)ethyl]phenyl]methanamine
CID 81321986
N-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 62582200
[1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 54989344
1-[2-(2-bromo-5-methoxyphenyl)ethyl]-2-methylpiperidine
CID 171934524
N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 28565044
3-chloro-4-[(2-methylpiperidin-1-yl)methyl]benzoic acid;hydrochloride
CID 166594028
1-[4-[2-(2-chloro-4-fluorophenyl)ethyl]piperazin-1-yl]ethanone
CID 136537667
3-chloro-4-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]benzonitrile
CID 102663857
1-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-3,7-dimethyl-1,4-diazepane
CID 64871241
1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine
CID 75030496

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine?
The IUPAC name of (2S)-1-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine (CID 176781027) is (2S)-1-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine.
What is the SMILES notation for (2S)-1-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine?
The canonical SMILES for (2S)-1-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine is C[C@H]1CCCCN1CCc1ccc(F)cc1Cl.
What is the InChIKey of (2S)-1-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine?
The InChIKey is GIHIFJDXXZSDIQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H19ClFN/c1-11-4-2-3-8-17(11)9-7-12-5-6-13(16)10-14(12)15/h5-6,10-11H,2-4,7-9H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-1-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine?
(2S)-1-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine has a molecular weight of 255.76 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine is sourced from PubChem (CID 176781027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).