3-(2-hydroxycycloheptyl)piperidin-4-ol

C12H23NO2 — CID 114451837

IUPAC3-(2-hydroxycycloheptyl)piperidin-4-ol
SMILESOC1CCCCCC1C1CNCCC1O
InChIInChI=1S/C12H23NO2/c14-11-5-3-1-2-4-9(11)10-8-13-7-6-12(10)15/h9-15H,1-8H2
InChIKeyYSJVUDOAQMEFDT-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.90
Rot. Bonds1

About 3-(2-hydroxycycloheptyl)piperidin-4-ol

3-(2-hydroxycycloheptyl)piperidin-4-ol (PubChem CID 114451837) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(2-hydroxycycloheptyl)piperidin-4-ol.

Molecular Properties

Compound Name3-(2-hydroxycycloheptyl)piperidin-4-ol
PubChem CID114451837
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-(2-hydroxycycloheptyl)piperidin-4-ol
SMILESOC1CCCCCC1C1CNCCC1O
InChIInChI=1S/C12H23NO2/c14-11-5-3-1-2-4-9(11)10-8-13-7-6-12(10)15/h9-15H,1-8H2
InChIKeyYSJVUDOAQMEFDT-UHFFFAOYSA-N
XLogP0.90
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxycycloheptyl)piperidin-4-ol?
The IUPAC name of 3-(2-hydroxycycloheptyl)piperidin-4-ol (CID 114451837) is 3-(2-hydroxycycloheptyl)piperidin-4-ol.
What is the SMILES notation for 3-(2-hydroxycycloheptyl)piperidin-4-ol?
The canonical SMILES for 3-(2-hydroxycycloheptyl)piperidin-4-ol is OC1CCCCCC1C1CNCCC1O.
What is the InChIKey of 3-(2-hydroxycycloheptyl)piperidin-4-ol?
The InChIKey is YSJVUDOAQMEFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c14-11-5-3-1-2-4-9(11)10-8-13-7-6-12(10)15/h9-15H,1-8H2.
What are the key properties of 3-(2-hydroxycycloheptyl)piperidin-4-ol?
3-(2-hydroxycycloheptyl)piperidin-4-ol has a molecular weight of 213.32 g/mol, XLogP of 0.90, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxycycloheptyl)piperidin-4-ol is sourced from PubChem (CID 114451837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).