[1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-4-yl]methanol

C15H21F2NO2 — CID 47524579

IUPAC[1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-4-yl]methanol
SMILESCC(c1ccc(OC(F)F)cc1)N1CCC(CO)CC1
InChIInChI=1S/C15H21F2NO2/c1-11(18-8-6-12(10-19)7-9-18)13-2-4-14(5-3-13)20-15(16)17/h2-5,11-12,15,19H,6-10H2,1H3
InChIKeyZTFIONANOHQTKJ-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.05
Rot. Bonds5

About [1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-4-yl]methanol

[1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-4-yl]methanol (PubChem CID 47524579) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is [1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-4-yl]methanol
PubChem CID47524579
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name[1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-4-yl]methanol
SMILESCC(c1ccc(OC(F)F)cc1)N1CCC(CO)CC1
InChIInChI=1S/C15H21F2NO2/c1-11(18-8-6-12(10-19)7-9-18)13-2-4-14(5-3-13)20-15(16)17/h2-5,11-12,15,19H,6-10H2,1H3
InChIKeyZTFIONANOHQTKJ-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]ethanol
CID 47520543
1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-3-ol
CID 47704692
1-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-(2-ethoxyethyl)piperazine
CID 86894996
1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 63251056
N-[[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550847
1-[1-[4-(difluoromethoxy)phenyl]ethyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119919002
1-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxylic acid
CID 65056333
[1-[(1S)-1-thiophen-2-ylethyl]piperidin-4-yl]methanol
CID 97175553
2-[4-(hydroxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
CID 62024780
6-chloro-3-[1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 137498444
4-(hydroxymethyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896098
N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]acetamide
CID 98728851

Frequently Asked Questions

What is the IUPAC name of [1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-4-yl]methanol (CID 47524579) is [1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-4-yl]methanol is CC(c1ccc(OC(F)F)cc1)N1CCC(CO)CC1.
What is the InChIKey of [1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-4-yl]methanol?
The InChIKey is ZTFIONANOHQTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-11(18-8-6-12(10-19)7-9-18)13-2-4-14(5-3-13)20-15(16)17/h2-5,11-12,15,19H,6-10H2,1H3.
What are the key properties of [1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-4-yl]methanol?
[1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-4-yl]methanol has a molecular weight of 285.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 47524579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).