4-(2-chloro-6-fluorophenyl)-3-propylpiperidine

C14H19ClFN — CID 79320231

IUPAC4-(2-chloro-6-fluorophenyl)-3-propylpiperidine
SMILESCCCC1CNCCC1c1c(F)cccc1Cl
InChIInChI=1S/C14H19ClFN/c1-2-4-10-9-17-8-7-11(10)14-12(15)5-3-6-13(14)16/h3,5-6,10-11,17H,2,4,7-9H2,1H3
InChIKeySTAOBIKERIAMHN-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.97
Rot. Bonds3

About 4-(2-chloro-6-fluorophenyl)-3-propylpiperidine

4-(2-chloro-6-fluorophenyl)-3-propylpiperidine (PubChem CID 79320231) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-3-propylpiperidine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-3-propylpiperidine
PubChem CID79320231
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name4-(2-chloro-6-fluorophenyl)-3-propylpiperidine
SMILESCCCC1CNCCC1c1c(F)cccc1Cl
InChIInChI=1S/C14H19ClFN/c1-2-4-10-9-17-8-7-11(10)14-12(15)5-3-6-13(14)16/h3,5-6,10-11,17H,2,4,7-9H2,1H3
InChIKeySTAOBIKERIAMHN-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-chloro-6-fluorophenyl)-3-ethylpiperidine
CID 79320257
4-(2,3-dichlorophenyl)-3-propylpiperidine
CID 79320625
4-(2-chloro-6-fluorophenyl)-3-propan-2-ylpiperidine
CID 79320733
4-(3-chlorophenyl)-3-propylpiperidine
CID 79321401
3-(2-chloro-6-fluorophenyl)pyrrolidine;hydrochloride
CID 169498555
3-benzyl-4-(2,6-difluorophenyl)piperidine
CID 79310572
4-(4-cyclopropylphenyl)-3-propylpiperidine
CID 79978393
4-(4-phenylphenyl)-3-propylpiperidine
CID 79310826
3-(4-chlorophenyl)-4-(2,6-difluorophenyl)piperidine
CID 79433603
3-propyl-4-[4-(trifluoromethyl)phenyl]piperidine
CID 79320434
4-(3,5-dichlorophenyl)-3-ethylpiperidine
CID 79310849
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methylmethanamine
CID 53275663

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-propylpiperidine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-3-propylpiperidine (CID 79320231) is 4-(2-chloro-6-fluorophenyl)-3-propylpiperidine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-3-propylpiperidine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-3-propylpiperidine is CCCC1CNCCC1c1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-3-propylpiperidine?
The InChIKey is STAOBIKERIAMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-2-4-10-9-17-8-7-11(10)14-12(15)5-3-6-13(14)16/h3,5-6,10-11,17H,2,4,7-9H2,1H3.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-3-propylpiperidine?
4-(2-chloro-6-fluorophenyl)-3-propylpiperidine has a molecular weight of 255.76 g/mol, XLogP of 3.97, 3 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-propylpiperidine is sourced from PubChem (CID 79320231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).