1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperidin-4-ol

C14H25F2NO — CID 114225611

IUPAC1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperidin-4-ol
SMILESCCC1CN(CC2CCCC(F)(F)C2)CCC1O
InChIInChI=1S/C14H25F2NO/c1-2-12-10-17(7-5-13(12)18)9-11-4-3-6-14(15,16)8-11/h11-13,18H,2-10H2,1H3
InChIKeyPWEDHBKCKTWGSY-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.90
Rot. Bonds3

About 1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperidin-4-ol

1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperidin-4-ol (PubChem CID 114225611) has the molecular formula C14H25F2NO and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperidin-4-ol
PubChem CID114225611
Molecular FormulaC14H25F2NO
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperidin-4-ol
SMILESCCC1CN(CC2CCCC(F)(F)C2)CCC1O
InChIInChI=1S/C14H25F2NO/c1-2-12-10-17(7-5-13(12)18)9-11-4-3-6-14(15,16)8-11/h11-13,18H,2-10H2,1H3
InChIKeyPWEDHBKCKTWGSY-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-Trifluoro-1-(1-methylpiperidin-4-yl)ethan-1-ol
CID 67400457
2,2,6,6-Tetramethyl-1-(2,2,2-trifluoro-ethyl)-piperidin-4-ol
CID 68830384
1-(1-Ethylpiperidin-4-yl)-2,2,2-trifluoroethanol
CID 89584678
1-Tert-butyl-3-(trifluoromethyl)piperidin-4-ol
CID 90176901
2,2,2-Trifluoro-1-(1-propylpiperidin-4-yl)ethanol
CID 112326754
(1-((1-(Trifluoromethyl)cyclohexyl)methyl)piperidin-4-yl)methanol
CID 118126060
(3S,5R)-1-(cyclohexylmethyl)-5-(difluoromethyl)piperidin-3-ol
CID 118321426
1-[[4-(Trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 127889594
1-[(4,4-Difluorocyclohexyl)methyl]piperidin-4-ol
CID 128699600
1-[2-(4-Fluorocyclohexyl)ethyl]piperidin-4-ol
CID 140430826
Ethane;1-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroethanol
CID 144326101
Ethane;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanol
CID 144326292

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperidin-4-ol?
The IUPAC name of 1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperidin-4-ol (CID 114225611) is 1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperidin-4-ol.
What is the SMILES notation for 1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperidin-4-ol?
The canonical SMILES for 1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperidin-4-ol is CCC1CN(CC2CCCC(F)(F)C2)CCC1O.
What is the InChIKey of 1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperidin-4-ol?
The InChIKey is PWEDHBKCKTWGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO/c1-2-12-10-17(7-5-13(12)18)9-11-4-3-6-14(15,16)8-11/h11-13,18H,2-10H2,1H3.
What are the key properties of 1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperidin-4-ol?
1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperidin-4-ol has a molecular weight of 261.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperidin-4-ol is sourced from PubChem (CID 114225611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).