1-[3-(4-ethyl-2,3-difluorophenyl)propyl]piperidine

C16H23F2N — CID 166651415

IUPAC1-[3-(4-ethyl-2,3-difluorophenyl)propyl]piperidine
SMILESCCc1ccc(CCCN2CCCCC2)c(F)c1F
InChIInChI=1S/C16H23F2N/c1-2-13-8-9-14(16(18)15(13)17)7-6-12-19-10-4-3-5-11-19/h8-9H,2-7,10-12H2,1H3
InChIKeyWZSRDEKFSBLEDU-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.95
Rot. Bonds5

About 1-[3-(4-ethyl-2,3-difluorophenyl)propyl]piperidine

1-[3-(4-ethyl-2,3-difluorophenyl)propyl]piperidine (PubChem CID 166651415) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 1-[3-(4-ethyl-2,3-difluorophenyl)propyl]piperidine.

Molecular Properties

Compound Name1-[3-(4-ethyl-2,3-difluorophenyl)propyl]piperidine
PubChem CID166651415
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name1-[3-(4-ethyl-2,3-difluorophenyl)propyl]piperidine
SMILESCCc1ccc(CCCN2CCCCC2)c(F)c1F
InChIInChI=1S/C16H23F2N/c1-2-13-8-9-14(16(18)15(13)17)7-6-12-19-10-4-3-5-11-19/h8-9H,2-7,10-12H2,1H3
InChIKeyWZSRDEKFSBLEDU-UHFFFAOYSA-N
XLogP3.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(4-bromo-2,3-difluorophenyl)propyl]morpholine
CID 170870098
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1-methyl-4-[3-(2,3,4,5-tetrafluorophenyl)propyl]piperazine
CID 170862462
3-(4-ethyl-2,3-difluorophenyl)-N,N-dipropylpropan-1-amine
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3-ethyl-4-[1-fluoro-2-[4-(3-piperidin-1-ylpropyl)phenyl]ethyl]phenol
CID 142130440
1-[3-(4-ethoxy-2-ethylphenyl)propyl]-1,4-diazepane
CID 83941684
1-[3-(2-ethylphenoxy)propyl]pyrrolidine
CID 2262767
2-(3-pyrrolidin-1-ylpropyl)naphthalen-1-ol
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3-(3-piperidin-1-ylpropyl)pyridin-2-amine
CID 159183152
1-[3-[6-(3-pyrrolidin-1-ylpropyl)cyclohexa-1,5-dien-1-yl]propyl]piperidine
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1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethyl-2,3-difluorophenyl)propyl]piperidine?
The IUPAC name of 1-[3-(4-ethyl-2,3-difluorophenyl)propyl]piperidine (CID 166651415) is 1-[3-(4-ethyl-2,3-difluorophenyl)propyl]piperidine.
What is the SMILES notation for 1-[3-(4-ethyl-2,3-difluorophenyl)propyl]piperidine?
The canonical SMILES for 1-[3-(4-ethyl-2,3-difluorophenyl)propyl]piperidine is CCc1ccc(CCCN2CCCCC2)c(F)c1F.
What is the InChIKey of 1-[3-(4-ethyl-2,3-difluorophenyl)propyl]piperidine?
The InChIKey is WZSRDEKFSBLEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-2-13-8-9-14(16(18)15(13)17)7-6-12-19-10-4-3-5-11-19/h8-9H,2-7,10-12H2,1H3.
What are the key properties of 1-[3-(4-ethyl-2,3-difluorophenyl)propyl]piperidine?
1-[3-(4-ethyl-2,3-difluorophenyl)propyl]piperidine has a molecular weight of 267.36 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethyl-2,3-difluorophenyl)propyl]piperidine is sourced from PubChem (CID 166651415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).