(3S)-1-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-ethylpiperidine

C15H21F2N — CID 98764853

IUPAC(3S)-1-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-ethylpiperidine
SMILESCC[C@H]1CCCN([C@H](C)c2c(F)cccc2F)C1
InChIInChI=1S/C15H21F2N/c1-3-12-6-5-9-18(10-12)11(2)15-13(16)7-4-8-14(15)17/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3/t11-,12+/m1/s1
InChIKeyWTUFKUGXDYGWLD-NEPJUHHUSA-N
MW253.34 g/mol
LogP4.15
Rot. Bonds3

About (3S)-1-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-ethylpiperidine

(3S)-1-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-ethylpiperidine (PubChem CID 98764853) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is (3S)-1-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-ethylpiperidine.

Molecular Properties

Compound Name(3S)-1-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-ethylpiperidine
PubChem CID98764853
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name(3S)-1-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-ethylpiperidine
SMILESCC[C@H]1CCCN([C@H](C)c2c(F)cccc2F)C1
InChIInChI=1S/C15H21F2N/c1-3-12-6-5-9-18(10-12)11(2)15-13(16)7-4-8-14(15)17/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3/t11-,12+/m1/s1
InChIKeyWTUFKUGXDYGWLD-NEPJUHHUSA-N
XLogP4.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-[1-(2,6-difluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119914638
1-(3-ethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 55018925
(1S)-1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethanamine
CID 78934450
1-(3-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-2-amine
CID 55020487
1-benzhydryl-3-ethylpiperidine
CID 22970041
1-[1-(2,6-difluorophenyl)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 60978666
N-[1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethyl]propan-1-amine
CID 43584613
2-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728173
2-[(3-ethylpiperidin-1-yl)methyl]-6-fluorophenol
CID 112616106
[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]methanol
CID 114065244
1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 61421255
2-(3-ethylpiperidin-1-yl)-N,3-dimethyl-1-phenylbutan-1-amine
CID 63467927

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-ethylpiperidine?
The IUPAC name of (3S)-1-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-ethylpiperidine (CID 98764853) is (3S)-1-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-ethylpiperidine.
What is the SMILES notation for (3S)-1-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-ethylpiperidine?
The canonical SMILES for (3S)-1-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-ethylpiperidine is CC[C@H]1CCCN([C@H](C)c2c(F)cccc2F)C1.
What is the InChIKey of (3S)-1-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-ethylpiperidine?
The InChIKey is WTUFKUGXDYGWLD-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H21F2N/c1-3-12-6-5-9-18(10-12)11(2)15-13(16)7-4-8-14(15)17/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of (3S)-1-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-ethylpiperidine?
(3S)-1-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-ethylpiperidine has a molecular weight of 253.34 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1R)-1-(2,6-difluorophenyl)ethyl]-3-ethylpiperidine is sourced from PubChem (CID 98764853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).