4-(2-chloro-6-fluorophenyl)-3-propan-2-ylpiperidine

C14H19ClFN — CID 79320733

IUPAC4-(2-chloro-6-fluorophenyl)-3-propan-2-ylpiperidine
SMILESCC(C)C1CNCCC1c1c(F)cccc1Cl
InChIInChI=1S/C14H19ClFN/c1-9(2)11-8-17-7-6-10(11)14-12(15)4-3-5-13(14)16/h3-5,9-11,17H,6-8H2,1-2H3
InChIKeyFMEUYJRKDOGYKM-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.83
Rot. Bonds2

About 4-(2-chloro-6-fluorophenyl)-3-propan-2-ylpiperidine

4-(2-chloro-6-fluorophenyl)-3-propan-2-ylpiperidine (PubChem CID 79320733) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-3-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-3-propan-2-ylpiperidine
PubChem CID79320733
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name4-(2-chloro-6-fluorophenyl)-3-propan-2-ylpiperidine
SMILESCC(C)C1CNCCC1c1c(F)cccc1Cl
InChIInChI=1S/C14H19ClFN/c1-9(2)11-8-17-7-6-10(11)14-12(15)4-3-5-13(14)16/h3-5,9-11,17H,6-8H2,1-2H3
InChIKeyFMEUYJRKDOGYKM-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-chloro-6-fluorophenyl)-3-ethylpiperidine
CID 79320257
4-(2-chloro-6-fluorophenyl)-3-propylpiperidine
CID 79320231
3-(2-chloro-6-fluorophenyl)pyrrolidine;hydrochloride
CID 169498555
4-(2,4-dichlorophenyl)-3-propan-2-ylpiperidine
CID 79321406
4-(4-bromo-2-fluorophenyl)-3-propan-2-ylpiperidine
CID 79320340
(1R)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanol
CID 95002844
(1S)-1-[(1S,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanol
CID 95002845
3-(4-chlorophenyl)-4-(2,6-difluorophenyl)piperidine
CID 79433603
3-(2-fluorophenyl)-4-propan-2-ylpiperidine
CID 79455121
2-(2-chloro-6-fluorophenyl)-N-piperidin-3-ylcyclopropane-1-carboxamide
CID 119428601
4-(4-bromophenyl)-3-propan-2-ylpiperidine
CID 79321311
(2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride
CID 171194835

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-propan-2-ylpiperidine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-propan-2-ylpiperidine (CID 79320733) is 4-(2-chloro-6-fluorophenyl)-3-propan-2-ylpiperidine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-3-propan-2-ylpiperidine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-3-propan-2-ylpiperidine is CC(C)C1CNCCC1c1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-3-propan-2-ylpiperidine?
The InChIKey is FMEUYJRKDOGYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-9(2)11-8-17-7-6-10(11)14-12(15)4-3-5-13(14)16/h3-5,9-11,17H,6-8H2,1-2H3.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-3-propan-2-ylpiperidine?
4-(2-chloro-6-fluorophenyl)-3-propan-2-ylpiperidine has a molecular weight of 255.76 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-3-propan-2-ylpiperidine is sourced from PubChem (CID 79320733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).