1-[(2-chloro-6-fluorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine

C20H21ClF3N — CID 134149071

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine
SMILESFc1cccc(Cl)c1CN1CCC(F)(F)C(CCc2ccccc2)C1
InChIInChI=1S/C20H21ClF3N/c21-18-7-4-8-19(22)17(18)14-25-12-11-20(23,24)16(13-25)10-9-15-5-2-1-3-6-15/h1-8,16H,9-14H2
InChIKeyWRMURLFIIDCIFU-UHFFFAOYSA-N
MW367.84 g/mol
LogP5.57
Rot. Bonds5

About 1-[(2-chloro-6-fluorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine

1-[(2-chloro-6-fluorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine (PubChem CID 134149071) has the molecular formula C20H21ClF3N and a molecular weight of 367.84 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine
PubChem CID134149071
Molecular FormulaC20H21ClF3N
Molecular Weight367.84 g/mol
Exact Mass367.13
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine
SMILESFc1cccc(Cl)c1CN1CCC(F)(F)C(CCc2ccccc2)C1
InChIInChI=1S/C20H21ClF3N/c21-18-7-4-8-19(22)17(18)14-25-12-11-20(23,24)16(13-25)10-9-15-5-2-1-3-6-15/h1-8,16H,9-14H2
InChIKeyWRMURLFIIDCIFU-UHFFFAOYSA-N
XLogP5.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.84
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-Chloro-6-fluoro-benzyl)-4-methyl-piperazine
CID 677773
4-Benzyl-1-(3,4-difluorobenzyl)piperidine
CID 1377232
1-Benzyl-4-(3-chlorobenzyl)piperazine
CID 765219
1-benzyl-4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazine
CID 10782419
4-Benzyl-1-[(3-fluorophenyl)methyl]piperidine
CID 792536
4-Benzyl-1-(2-fluorobenzyl)piperidine
CID 1377046
4-(4-chloro-3-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 9882047
1-(2-(2-Chlorophenyl)-1-(3-fluorophenyl)ethyl)piperazine
CID 44414690
1-(2-(2-Chlorophenyl)-1-(4-fluorophenyl)ethyl)piperazine
CID 44414692
1-(2-(2-Chlorophenyl)-1-(2-fluorophenyl)ethyl)piperazine
CID 44414762
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-(2-methylpropyl)piperazine
CID 118119344
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-(2-methylpropyl)piperazine
CID 118119446

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine (CID 134149071) is 1-[(2-chloro-6-fluorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine is Fc1cccc(Cl)c1CN1CCC(F)(F)C(CCc2ccccc2)C1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine?
The InChIKey is WRMURLFIIDCIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N/c21-18-7-4-8-19(22)17(18)14-25-12-11-20(23,24)16(13-25)10-9-15-5-2-1-3-6-15/h1-8,16H,9-14H2.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine?
1-[(2-chloro-6-fluorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine has a molecular weight of 367.84 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine is sourced from PubChem (CID 134149071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).