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

C17H16Cl2FN — CID 114489277

IUPAC4-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)piperidine
SMILESFc1c(Cl)cccc1C1CCNCC1c1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2FN/c18-12-6-4-11(5-7-12)15-10-21-9-8-13(15)14-2-1-3-16(19)17(14)20/h1-7,13,15,21H,8-10H2
InChIKeyPZZZIGLRKSTRDM-UHFFFAOYSA-N
MW324.23 g/mol
LogP4.99
Rot. Bonds2

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

4-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)piperidine (PubChem CID 114489277) has the molecular formula C17H16Cl2FN and a molecular weight of 324.23 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)piperidine.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)piperidine
PubChem CID114489277
Molecular FormulaC17H16Cl2FN
Molecular Weight324.23 g/mol
Exact Mass323.06
IUPAC Name4-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)piperidine
SMILESFc1c(Cl)cccc1C1CCNCC1c1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2FN/c18-12-6-4-11(5-7-12)15-10-21-9-8-13(15)14-2-1-3-16(19)17(14)20/h1-7,13,15,21H,8-10H2
InChIKeyPZZZIGLRKSTRDM-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-4-(2,6-difluorophenyl)piperidine
CID 79433603
4-(2-chlorophenyl)-3-(4-fluorophenyl)piperidine
CID 79435303
3,4-bis(4-chlorophenyl)piperidine
CID 79434307
4-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)piperidine
CID 114867305
(3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine
CID 131096637
4-(4-chloro-3-fluorophenyl)-3-(4-chlorophenyl)piperidine
CID 79433397
4-(5-chloro-2-fluorophenyl)-3-(3-fluorophenyl)piperidine
CID 114867327
3-(3-chlorophenyl)-4-(3,4-difluorophenyl)piperidine
CID 79433508
3-(3-chlorophenyl)-4-(2,4-difluorophenyl)piperidine
CID 79434014
3-(3-chloro-2-fluorophenyl)-4-methylpyrrolidine
CID 130874669
3-[3-(4-chlorophenyl)piperidin-4-yl]pyridine
CID 79434183
(3R,4R)-3-(4-chlorophenyl)-4-methylpiperidine
CID 70225291

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)piperidine?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)piperidine (CID 114489277) is 4-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)piperidine.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)piperidine?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)piperidine is Fc1c(Cl)cccc1C1CCNCC1c1ccc(Cl)cc1.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)piperidine?
The InChIKey is PZZZIGLRKSTRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FN/c18-12-6-4-11(5-7-12)15-10-21-9-8-13(15)14-2-1-3-16(19)17(14)20/h1-7,13,15,21H,8-10H2.
What are the key properties of 4-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)piperidine?
4-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)piperidine has a molecular weight of 324.23 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)piperidine is sourced from PubChem (CID 114489277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).