[4-(difluoromethyl)phenyl]-(4-ethylpiperidin-2-yl)methanol

C15H21F2NO — CID 115525040

IUPAC[4-(difluoromethyl)phenyl]-(4-ethylpiperidin-2-yl)methanol
SMILESCCC1CCNC(C(O)c2ccc(C(F)F)cc2)C1
InChIInChI=1S/C15H21F2NO/c1-2-10-7-8-18-13(9-10)14(19)11-3-5-12(6-4-11)15(16)17/h3-6,10,13-15,18-19H,2,7-9H2,1H3
InChIKeyNMCLDECMWMNXAZ-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.44
Rot. Bonds4

About [4-(difluoromethyl)phenyl]-(4-ethylpiperidin-2-yl)methanol

[4-(difluoromethyl)phenyl]-(4-ethylpiperidin-2-yl)methanol (PubChem CID 115525040) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is [4-(difluoromethyl)phenyl]-(4-ethylpiperidin-2-yl)methanol.

Molecular Properties

Compound Name[4-(difluoromethyl)phenyl]-(4-ethylpiperidin-2-yl)methanol
PubChem CID115525040
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name[4-(difluoromethyl)phenyl]-(4-ethylpiperidin-2-yl)methanol
SMILESCCC1CCNC(C(O)c2ccc(C(F)F)cc2)C1
InChIInChI=1S/C15H21F2NO/c1-2-10-7-8-18-13(9-10)14(19)11-3-5-12(6-4-11)15(16)17/h3-6,10,13-15,18-19H,2,7-9H2,1H3
InChIKeyNMCLDECMWMNXAZ-UHFFFAOYSA-N
XLogP3.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-2-fluorophenyl)-(4-ethylpiperidin-2-yl)methanol
CID 114852894
(2-bromo-5-chlorophenyl)-(4-ethylpiperidin-2-yl)methanol
CID 66156284
(4-ethylpiperidin-2-yl)-pyrrolidin-2-ylmethanol
CID 106639933
(3-cyclopropylimidazol-4-yl)-(4-ethylpiperidin-2-yl)methanol
CID 66140858
2-butan-2-yl-4-ethylpiperidine
CID 79444187
3-(4-ethylpiperidin-2-yl)pentane-2,4-dione
CID 114425874
1-(4-ethylpiperidin-2-yl)-3-methoxy-3-methylbutan-1-ol
CID 106676148
difluoromethylbenzene;ethylcyclopropane
CID 157034020
(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 39238470
1-(3-chloro-4-fluorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
CID 114426131
ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 142507494
(4-fluorophenyl)-[(2R)-piperazin-2-yl]methanol
CID 90100109

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)phenyl]-(4-ethylpiperidin-2-yl)methanol?
The IUPAC name of [4-(difluoromethyl)phenyl]-(4-ethylpiperidin-2-yl)methanol (CID 115525040) is [4-(difluoromethyl)phenyl]-(4-ethylpiperidin-2-yl)methanol.
What is the SMILES notation for [4-(difluoromethyl)phenyl]-(4-ethylpiperidin-2-yl)methanol?
The canonical SMILES for [4-(difluoromethyl)phenyl]-(4-ethylpiperidin-2-yl)methanol is CCC1CCNC(C(O)c2ccc(C(F)F)cc2)C1.
What is the InChIKey of [4-(difluoromethyl)phenyl]-(4-ethylpiperidin-2-yl)methanol?
The InChIKey is NMCLDECMWMNXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-2-10-7-8-18-13(9-10)14(19)11-3-5-12(6-4-11)15(16)17/h3-6,10,13-15,18-19H,2,7-9H2,1H3.
What are the key properties of [4-(difluoromethyl)phenyl]-(4-ethylpiperidin-2-yl)methanol?
[4-(difluoromethyl)phenyl]-(4-ethylpiperidin-2-yl)methanol has a molecular weight of 269.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)phenyl]-(4-ethylpiperidin-2-yl)methanol is sourced from PubChem (CID 115525040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).