1-[4-(3,5-difluorocyclohexa-2,4-dien-1-yl)piperidin-1-yl]ethanol

C13H19F2NO — CID 70191222

IUPAC1-[4-(3,5-difluorocyclohexa-2,4-dien-1-yl)piperidin-1-yl]ethanol
SMILESCC(O)N1CCC(C2C=C(F)C=C(F)C2)CC1
InChIInChI=1S/C13H19F2NO/c1-9(17)16-4-2-10(3-5-16)11-6-12(14)8-13(15)7-11/h6,8-11,17H,2-5,7H2,1H3
InChIKeyUIMPEVJMDNAWFU-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.76
Rot. Bonds2

About 1-[4-(3,5-difluorocyclohexa-2,4-dien-1-yl)piperidin-1-yl]ethanol

1-[4-(3,5-difluorocyclohexa-2,4-dien-1-yl)piperidin-1-yl]ethanol (PubChem CID 70191222) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-[4-(3,5-difluorocyclohexa-2,4-dien-1-yl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-[4-(3,5-difluorocyclohexa-2,4-dien-1-yl)piperidin-1-yl]ethanol
PubChem CID70191222
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name1-[4-(3,5-difluorocyclohexa-2,4-dien-1-yl)piperidin-1-yl]ethanol
SMILESCC(O)N1CCC(C2C=C(F)C=C(F)C2)CC1
InChIInChI=1S/C13H19F2NO/c1-9(17)16-4-2-10(3-5-16)11-6-12(14)8-13(15)7-11/h6,8-11,17H,2-5,7H2,1H3
InChIKeyUIMPEVJMDNAWFU-UHFFFAOYSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-difluorocyclohexa-2,4-dien-1-yl)piperidin-1-yl]ethanol?
The IUPAC name of 1-[4-(3,5-difluorocyclohexa-2,4-dien-1-yl)piperidin-1-yl]ethanol (CID 70191222) is 1-[4-(3,5-difluorocyclohexa-2,4-dien-1-yl)piperidin-1-yl]ethanol.
What is the SMILES notation for 1-[4-(3,5-difluorocyclohexa-2,4-dien-1-yl)piperidin-1-yl]ethanol?
The canonical SMILES for 1-[4-(3,5-difluorocyclohexa-2,4-dien-1-yl)piperidin-1-yl]ethanol is CC(O)N1CCC(C2C=C(F)C=C(F)C2)CC1.
What is the InChIKey of 1-[4-(3,5-difluorocyclohexa-2,4-dien-1-yl)piperidin-1-yl]ethanol?
The InChIKey is UIMPEVJMDNAWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-9(17)16-4-2-10(3-5-16)11-6-12(14)8-13(15)7-11/h6,8-11,17H,2-5,7H2,1H3.
What are the key properties of 1-[4-(3,5-difluorocyclohexa-2,4-dien-1-yl)piperidin-1-yl]ethanol?
1-[4-(3,5-difluorocyclohexa-2,4-dien-1-yl)piperidin-1-yl]ethanol has a molecular weight of 243.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-difluorocyclohexa-2,4-dien-1-yl)piperidin-1-yl]ethanol is sourced from PubChem (CID 70191222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).