1-[4-(3,5-difluorocyclohex-2-en-1-yl)piperidin-1-yl]ethanol

C13H21F2NO — CID 70837127

IUPAC1-[4-(3,5-difluorocyclohex-2-en-1-yl)piperidin-1-yl]ethanol
SMILESCC(O)N1CCC(C2C=C(F)CC(F)C2)CC1
InChIInChI=1S/C13H21F2NO/c1-9(17)16-4-2-10(3-5-16)11-6-12(14)8-13(15)7-11/h6,9-11,13,17H,2-5,7-8H2,1H3
InChIKeyHTVJBELJFRWLTO-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.64
Rot. Bonds2

About 1-[4-(3,5-difluorocyclohex-2-en-1-yl)piperidin-1-yl]ethanol

1-[4-(3,5-difluorocyclohex-2-en-1-yl)piperidin-1-yl]ethanol (PubChem CID 70837127) has the molecular formula C13H21F2NO and a molecular weight of 245.31 g/mol. Its IUPAC name is 1-[4-(3,5-difluorocyclohex-2-en-1-yl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-[4-(3,5-difluorocyclohex-2-en-1-yl)piperidin-1-yl]ethanol
PubChem CID70837127
Molecular FormulaC13H21F2NO
Molecular Weight245.31 g/mol
Exact Mass245.16
IUPAC Name1-[4-(3,5-difluorocyclohex-2-en-1-yl)piperidin-1-yl]ethanol
SMILESCC(O)N1CCC(C2C=C(F)CC(F)C2)CC1
InChIInChI=1S/C13H21F2NO/c1-9(17)16-4-2-10(3-5-16)11-6-12(14)8-13(15)7-11/h6,9-11,13,17H,2-5,7-8H2,1H3
InChIKeyHTVJBELJFRWLTO-UHFFFAOYSA-N
XLogP2.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3,5-Difluorocyclohexa-1,5-dien-1-yl)piperidin-1-yl]ethanol
CID 69626960
1-[4-(3,5-Difluorocyclohexa-2,4-dien-1-yl)piperidin-1-yl]ethanol
CID 70191222
2,2,2-trifluoro-1-(7-methyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-1-yl)ethanol
CID 70837508
[4-(2,2-Difluoropropyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanol
CID 143734278
N-Methyl-N-(2-hydroxyethyl)-N-[3-(4-methyl-3-cyclohexenyl)-butyl]amine
CID 21427790
2-[4-(2-Propylpent-2-enyl)piperidin-1-yl]ethanol
CID 67848617
1-[4-(5-Methylhex-4-enyl)piperidin-1-yl]propan-1-ol
CID 170062975
2,3-Dimethyl-1-[4-(4-methylcyclohex-2-en-1-yl)piperidin-1-yl]pentan-1-ol
CID 143524620

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-difluorocyclohex-2-en-1-yl)piperidin-1-yl]ethanol?
The IUPAC name of 1-[4-(3,5-difluorocyclohex-2-en-1-yl)piperidin-1-yl]ethanol (CID 70837127) is 1-[4-(3,5-difluorocyclohex-2-en-1-yl)piperidin-1-yl]ethanol.
What is the SMILES notation for 1-[4-(3,5-difluorocyclohex-2-en-1-yl)piperidin-1-yl]ethanol?
The canonical SMILES for 1-[4-(3,5-difluorocyclohex-2-en-1-yl)piperidin-1-yl]ethanol is CC(O)N1CCC(C2C=C(F)CC(F)C2)CC1.
What is the InChIKey of 1-[4-(3,5-difluorocyclohex-2-en-1-yl)piperidin-1-yl]ethanol?
The InChIKey is HTVJBELJFRWLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO/c1-9(17)16-4-2-10(3-5-16)11-6-12(14)8-13(15)7-11/h6,9-11,13,17H,2-5,7-8H2,1H3.
What are the key properties of 1-[4-(3,5-difluorocyclohex-2-en-1-yl)piperidin-1-yl]ethanol?
1-[4-(3,5-difluorocyclohex-2-en-1-yl)piperidin-1-yl]ethanol has a molecular weight of 245.31 g/mol, XLogP of 2.64, 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-difluorocyclohex-2-en-1-yl)piperidin-1-yl]ethanol is sourced from PubChem (CID 70837127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).