3-(3-chlorophenyl)-4-(2,4-difluorophenyl)piperidine

C17H16ClF2N — CID 79434014

IUPAC3-(3-chlorophenyl)-4-(2,4-difluorophenyl)piperidine
SMILESFc1ccc(C2CCNCC2c2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C17H16ClF2N/c18-12-3-1-2-11(8-12)16-10-21-7-6-14(16)15-5-4-13(19)9-17(15)20/h1-5,8-9,14,16,21H,6-7,10H2
InChIKeySHENIFAWRFCJBJ-UHFFFAOYSA-N
MW307.77 g/mol
LogP4.48
Rot. Bonds2

About 3-(3-chlorophenyl)-4-(2,4-difluorophenyl)piperidine

3-(3-chlorophenyl)-4-(2,4-difluorophenyl)piperidine (PubChem CID 79434014) has the molecular formula C17H16ClF2N and a molecular weight of 307.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-(2,4-difluorophenyl)piperidine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4-(2,4-difluorophenyl)piperidine
PubChem CID79434014
Molecular FormulaC17H16ClF2N
Molecular Weight307.77 g/mol
Exact Mass307.09
IUPAC Name3-(3-chlorophenyl)-4-(2,4-difluorophenyl)piperidine
SMILESFc1ccc(C2CCNCC2c2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C17H16ClF2N/c18-12-3-1-2-11(8-12)16-10-21-7-6-14(16)15-5-4-13(19)9-17(15)20/h1-5,8-9,14,16,21H,6-7,10H2
InChIKeySHENIFAWRFCJBJ-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
3-(3-chlorophenyl)-4-(3,4-difluorophenyl)piperidine
CID 79433508
4-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)piperidine
CID 114867305
3-(2-bromophenyl)-4-(3-chlorophenyl)piperidine
CID 79455204
4-(2,4-difluorophenyl)-3-methylpiperidine
CID 66279713
3-(3-chlorophenyl)-4-(3-methoxyphenyl)piperidine
CID 79430329
4-(2-chlorophenyl)-3-(4-fluorophenyl)piperidine
CID 79435303
4-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)piperidine
CID 114489277
3-(3-chlorophenyl)-4-cyclopentylpiperidine
CID 79431788
3-(3-chlorophenyl)-4-pentan-3-ylpiperidine
CID 79433289
3-(4-chlorophenyl)-4-(2,6-difluorophenyl)piperidine
CID 79433603
4-(4-chloro-3-fluorophenyl)-3-(4-chlorophenyl)piperidine
CID 79433397

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4-(2,4-difluorophenyl)piperidine?
The IUPAC name of 3-(3-chlorophenyl)-4-(2,4-difluorophenyl)piperidine (CID 79434014) is 3-(3-chlorophenyl)-4-(2,4-difluorophenyl)piperidine.
What is the SMILES notation for 3-(3-chlorophenyl)-4-(2,4-difluorophenyl)piperidine?
The canonical SMILES for 3-(3-chlorophenyl)-4-(2,4-difluorophenyl)piperidine is Fc1ccc(C2CCNCC2c2cccc(Cl)c2)c(F)c1.
What is the InChIKey of 3-(3-chlorophenyl)-4-(2,4-difluorophenyl)piperidine?
The InChIKey is SHENIFAWRFCJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2N/c18-12-3-1-2-11(8-12)16-10-21-7-6-14(16)15-5-4-13(19)9-17(15)20/h1-5,8-9,14,16,21H,6-7,10H2.
What are the key properties of 3-(3-chlorophenyl)-4-(2,4-difluorophenyl)piperidine?
3-(3-chlorophenyl)-4-(2,4-difluorophenyl)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 3-(3-chlorophenyl)-4-(2,4-difluorophenyl)piperidine is sourced from PubChem (CID 79434014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).