4-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)piperidine

C17H16ClF2N — CID 114867305

IUPAC4-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)piperidine
SMILESFc1ccc(C2CNCCC2c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C17H16ClF2N/c18-12-3-6-17(20)15(9-12)14-7-8-21-10-16(14)11-1-4-13(19)5-2-11/h1-6,9,14,16,21H,7-8,10H2
InChIKeyDECQCQFIDVWDRQ-UHFFFAOYSA-N
MW307.77 g/mol
LogP4.48
Rot. Bonds2

About 4-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)piperidine

4-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)piperidine (PubChem CID 114867305) has the molecular formula C17H16ClF2N and a molecular weight of 307.77 g/mol. Its IUPAC name is 4-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)piperidine.

Molecular Properties

Compound Name4-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)piperidine
PubChem CID114867305
Molecular FormulaC17H16ClF2N
Molecular Weight307.77 g/mol
Exact Mass307.09
IUPAC Name4-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)piperidine
SMILESFc1ccc(C2CNCCC2c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C17H16ClF2N/c18-12-3-6-17(20)15(9-12)14-7-8-21-10-16(14)11-1-4-13(19)5-2-11/h1-6,9,14,16,21H,7-8,10H2
InChIKeyDECQCQFIDVWDRQ-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(5-chloro-2-fluorophenyl)-3-(3-fluorophenyl)piperidine
CID 114867327
4-(2-chlorophenyl)-3-(4-fluorophenyl)piperidine
CID 79435303
3-(3-chlorophenyl)-4-(2,4-difluorophenyl)piperidine
CID 79434014
3,4-bis(4-chlorophenyl)piperidine
CID 79434307
4-(4-chloro-3-fluorophenyl)-3-(4-chlorophenyl)piperidine
CID 79433397
4-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)piperidine
CID 114489277
3-(4-chlorophenyl)-4-(2,6-difluorophenyl)piperidine
CID 79433603
3-(3-chlorophenyl)-4-(3,4-difluorophenyl)piperidine
CID 79433508
4-(3,4-dichlorophenyl)-3-(2-fluorophenyl)piperidine
CID 79440006
(3R,4S)-4-(5-chloro-2-fluorophenyl)pyrrolidin-3-amine
CID 70647904
3-(4-fluorophenyl)-4-(4-methoxyphenyl)piperidine
CID 79433103
4-(2,5-difluorophenyl)-3-ethylpiperidine
CID 79320741

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)piperidine?
The IUPAC name of 4-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)piperidine (CID 114867305) is 4-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)piperidine.
What is the SMILES notation for 4-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)piperidine?
The canonical SMILES for 4-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)piperidine is Fc1ccc(C2CNCCC2c2cc(Cl)ccc2F)cc1.
What is the InChIKey of 4-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)piperidine?
The InChIKey is DECQCQFIDVWDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2N/c18-12-3-6-17(20)15(9-12)14-7-8-21-10-16(14)11-1-4-13(19)5-2-11/h1-6,9,14,16,21H,7-8,10H2.
What are the key properties of 4-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)piperidine?
4-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)piperidine has a molecular weight of 307.77 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)piperidine is sourced from PubChem (CID 114867305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).