(3R)-1-[[3-(difluoromethoxy)phenyl]methyl]-3-ethylpiperidine

C15H21F2NO — CID 145119200

IUPAC(3R)-1-[[3-(difluoromethoxy)phenyl]methyl]-3-ethylpiperidine
SMILESCC[C@@H]1CCCN(Cc2cccc(OC(F)F)c2)C1
InChIInChI=1S/C15H21F2NO/c1-2-12-6-4-8-18(10-12)11-13-5-3-7-14(9-13)19-15(16)17/h3,5,7,9,12,15H,2,4,6,8,10-11H2,1H3/t12-/m1/s1
InChIKeyCRPJNBLSMLQSQA-GFCCVEGCSA-N
MW269.33 g/mol
LogP3.91
Rot. Bonds5

About (3R)-1-[[3-(difluoromethoxy)phenyl]methyl]-3-ethylpiperidine

(3R)-1-[[3-(difluoromethoxy)phenyl]methyl]-3-ethylpiperidine (PubChem CID 145119200) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is (3R)-1-[[3-(difluoromethoxy)phenyl]methyl]-3-ethylpiperidine.

Molecular Properties

Compound Name(3R)-1-[[3-(difluoromethoxy)phenyl]methyl]-3-ethylpiperidine
PubChem CID145119200
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name(3R)-1-[[3-(difluoromethoxy)phenyl]methyl]-3-ethylpiperidine
SMILESCC[C@@H]1CCCN(Cc2cccc(OC(F)F)c2)C1
InChIInChI=1S/C15H21F2NO/c1-2-12-6-4-8-18(10-12)11-13-5-3-7-14(9-13)19-15(16)17/h3,5,7,9,12,15H,2,4,6,8,10-11H2,1H3/t12-/m1/s1
InChIKeyCRPJNBLSMLQSQA-GFCCVEGCSA-N
XLogP3.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915719
2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728273
1-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanol
CID 111113680
3-(bromomethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 80679418
N-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 172882405
(3S,4R)-1-[[3-(difluoromethoxy)phenyl]methyl]-4-phenylpiperidin-3-ol
CID 162633867
2-[(3S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide
CID 97160311
(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219
(3R)-1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 167713987
3-ethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 81458177
3-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115883991
4-[(3-ethylpiperidin-1-yl)methyl]-2-methylaniline
CID 43584622

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[3-(difluoromethoxy)phenyl]methyl]-3-ethylpiperidine?
The IUPAC name of (3R)-1-[[3-(difluoromethoxy)phenyl]methyl]-3-ethylpiperidine (CID 145119200) is (3R)-1-[[3-(difluoromethoxy)phenyl]methyl]-3-ethylpiperidine.
What is the SMILES notation for (3R)-1-[[3-(difluoromethoxy)phenyl]methyl]-3-ethylpiperidine?
The canonical SMILES for (3R)-1-[[3-(difluoromethoxy)phenyl]methyl]-3-ethylpiperidine is CC[C@@H]1CCCN(Cc2cccc(OC(F)F)c2)C1.
What is the InChIKey of (3R)-1-[[3-(difluoromethoxy)phenyl]methyl]-3-ethylpiperidine?
The InChIKey is CRPJNBLSMLQSQA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-2-12-6-4-8-18(10-12)11-13-5-3-7-14(9-13)19-15(16)17/h3,5,7,9,12,15H,2,4,6,8,10-11H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-1-[[3-(difluoromethoxy)phenyl]methyl]-3-ethylpiperidine?
(3R)-1-[[3-(difluoromethoxy)phenyl]methyl]-3-ethylpiperidine has a molecular weight of 269.33 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[3-(difluoromethoxy)phenyl]methyl]-3-ethylpiperidine is sourced from PubChem (CID 145119200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).