1-[2-(4-cyclopropyl-2,6-difluorophenyl)ethyl]-2-methylpiperidin-4-ol

C17H23F2NO — CID 155302648

IUPAC1-[2-(4-cyclopropyl-2,6-difluorophenyl)ethyl]-2-methylpiperidin-4-ol
SMILESCC1CC(O)CCN1CCc1c(F)cc(C2CC2)cc1F
InChIInChI=1S/C17H23F2NO/c1-11-8-14(21)4-6-20(11)7-5-15-16(18)9-13(10-17(15)19)12-2-3-12/h9-12,14,21H,2-8H2,1H3
InChIKeyVPNSPMUHNDABRS-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.23
Rot. Bonds4

About 1-[2-(4-cyclopropyl-2,6-difluorophenyl)ethyl]-2-methylpiperidin-4-ol

1-[2-(4-cyclopropyl-2,6-difluorophenyl)ethyl]-2-methylpiperidin-4-ol (PubChem CID 155302648) has the molecular formula C17H23F2NO and a molecular weight of 295.37 g/mol. Its IUPAC name is 1-[2-(4-cyclopropyl-2,6-difluorophenyl)ethyl]-2-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-(4-cyclopropyl-2,6-difluorophenyl)ethyl]-2-methylpiperidin-4-ol
PubChem CID155302648
Molecular FormulaC17H23F2NO
Molecular Weight295.37 g/mol
Exact Mass295.17
IUPAC Name1-[2-(4-cyclopropyl-2,6-difluorophenyl)ethyl]-2-methylpiperidin-4-ol
SMILESCC1CC(O)CCN1CCc1c(F)cc(C2CC2)cc1F
InChIInChI=1S/C17H23F2NO/c1-11-8-14(21)4-6-20(11)7-5-15-16(18)9-13(10-17(15)19)12-2-3-12/h9-12,14,21H,2-8H2,1H3
InChIKeyVPNSPMUHNDABRS-UHFFFAOYSA-N
XLogP3.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclopropyl-2,6-difluorophenyl)ethyl]-2-methylpiperidin-4-ol?
The IUPAC name of 1-[2-(4-cyclopropyl-2,6-difluorophenyl)ethyl]-2-methylpiperidin-4-ol (CID 155302648) is 1-[2-(4-cyclopropyl-2,6-difluorophenyl)ethyl]-2-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-(4-cyclopropyl-2,6-difluorophenyl)ethyl]-2-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-(4-cyclopropyl-2,6-difluorophenyl)ethyl]-2-methylpiperidin-4-ol is CC1CC(O)CCN1CCc1c(F)cc(C2CC2)cc1F.
What is the InChIKey of 1-[2-(4-cyclopropyl-2,6-difluorophenyl)ethyl]-2-methylpiperidin-4-ol?
The InChIKey is VPNSPMUHNDABRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO/c1-11-8-14(21)4-6-20(11)7-5-15-16(18)9-13(10-17(15)19)12-2-3-12/h9-12,14,21H,2-8H2,1H3.
What are the key properties of 1-[2-(4-cyclopropyl-2,6-difluorophenyl)ethyl]-2-methylpiperidin-4-ol?
1-[2-(4-cyclopropyl-2,6-difluorophenyl)ethyl]-2-methylpiperidin-4-ol has a molecular weight of 295.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclopropyl-2,6-difluorophenyl)ethyl]-2-methylpiperidin-4-ol is sourced from PubChem (CID 155302648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).