1-[2-(4,4-difluorocyclohexyl)ethyl]-2-methylpiperidin-4-ol

C14H25F2NO — CID 155302644

IUPAC1-[2-(4,4-difluorocyclohexyl)ethyl]-2-methylpiperidin-4-ol
SMILESCC1CC(O)CCN1CCC1CCC(F)(F)CC1
InChIInChI=1S/C14H25F2NO/c1-11-10-13(18)5-9-17(11)8-4-12-2-6-14(15,16)7-3-12/h11-13,18H,2-10H2,1H3
InChIKeyMDXQAWWYDRDUBE-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.05
Rot. Bonds3

About 1-[2-(4,4-difluorocyclohexyl)ethyl]-2-methylpiperidin-4-ol

1-[2-(4,4-difluorocyclohexyl)ethyl]-2-methylpiperidin-4-ol (PubChem CID 155302644) has the molecular formula C14H25F2NO and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-[2-(4,4-difluorocyclohexyl)ethyl]-2-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-(4,4-difluorocyclohexyl)ethyl]-2-methylpiperidin-4-ol
PubChem CID155302644
Molecular FormulaC14H25F2NO
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name1-[2-(4,4-difluorocyclohexyl)ethyl]-2-methylpiperidin-4-ol
SMILESCC1CC(O)CCN1CCC1CCC(F)(F)CC1
InChIInChI=1S/C14H25F2NO/c1-11-10-13(18)5-9-17(11)8-4-12-2-6-14(15,16)7-3-12/h11-13,18H,2-10H2,1H3
InChIKeyMDXQAWWYDRDUBE-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-difluorocyclohexyl)ethyl]-2-methylpiperidin-4-ol?
The IUPAC name of 1-[2-(4,4-difluorocyclohexyl)ethyl]-2-methylpiperidin-4-ol (CID 155302644) is 1-[2-(4,4-difluorocyclohexyl)ethyl]-2-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-(4,4-difluorocyclohexyl)ethyl]-2-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-(4,4-difluorocyclohexyl)ethyl]-2-methylpiperidin-4-ol is CC1CC(O)CCN1CCC1CCC(F)(F)CC1.
What is the InChIKey of 1-[2-(4,4-difluorocyclohexyl)ethyl]-2-methylpiperidin-4-ol?
The InChIKey is MDXQAWWYDRDUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO/c1-11-10-13(18)5-9-17(11)8-4-12-2-6-14(15,16)7-3-12/h11-13,18H,2-10H2,1H3.
What are the key properties of 1-[2-(4,4-difluorocyclohexyl)ethyl]-2-methylpiperidin-4-ol?
1-[2-(4,4-difluorocyclohexyl)ethyl]-2-methylpiperidin-4-ol has a molecular weight of 261.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-difluorocyclohexyl)ethyl]-2-methylpiperidin-4-ol is sourced from PubChem (CID 155302644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).