1-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanol

C15H21F2NO2 — CID 111113680

IUPAC1-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2cccc(OC(F)F)c2)CC1
InChIInChI=1S/C15H21F2NO2/c1-11(19)13-5-7-18(8-6-13)10-12-3-2-4-14(9-12)20-15(16)17/h2-4,9,11,13,15,19H,5-8,10H2,1H3
InChIKeyINVMWLRLEXPYEV-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.88
Rot. Bonds5

About 1-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanol

1-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanol (PubChem CID 111113680) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanol
PubChem CID111113680
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name1-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2cccc(OC(F)F)c2)CC1
InChIInChI=1S/C15H21F2NO2/c1-11(19)13-5-7-18(8-6-13)10-12-3-2-4-14(9-12)20-15(16)17/h2-4,9,11,13,15,19H,5-8,10H2,1H3
InChIKeyINVMWLRLEXPYEV-UHFFFAOYSA-N
XLogP2.88
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 51086648
1-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol
CID 138381001
(3R)-1-[[3-(difluoromethoxy)phenyl]methyl]-3-ethylpiperidine
CID 145119200
(3S,4R)-1-[[3-(difluoromethoxy)phenyl]methyl]-4-phenylpiperidin-3-ol
CID 162633867
4-(1-bromoethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 106838408
4-[1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine
CID 70784455
3-[[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]oxymethyl]pyridine
CID 56886815
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
3-ethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 81458177
[3-(difluoromethoxy)phenyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19297405
1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 103657157
3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 120774958

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanol (CID 111113680) is 1-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanol is CC(O)C1CCN(Cc2cccc(OC(F)F)c2)CC1.
What is the InChIKey of 1-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanol?
The InChIKey is INVMWLRLEXPYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-11(19)13-5-7-18(8-6-13)10-12-3-2-4-14(9-12)20-15(16)17/h2-4,9,11,13,15,19H,5-8,10H2,1H3.
What are the key properties of 1-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanol?
1-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanol has a molecular weight of 285.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 111113680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).