4-ethyl-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-ol

C16H31NO2 — CID 55094573

IUPAC4-ethyl-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(CN2CCCCC2CCO)C1
InChIInChI=1S/C16H31NO2/c1-2-13-6-7-16(19)14(11-13)12-17-9-4-3-5-15(17)8-10-18/h13-16,18-19H,2-12H2,1H3
InChIKeyKZZRDJZCLZPYPU-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.41
Rot. Bonds5

About 4-ethyl-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-ol

4-ethyl-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 55094573) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-ethyl-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
PubChem CID55094573
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name4-ethyl-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(CN2CCCCC2CCO)C1
InChIInChI=1S/C16H31NO2/c1-2-13-6-7-16(19)14(11-13)12-17-9-4-3-5-15(17)8-10-18/h13-16,18-19H,2-12H2,1H3
InChIKeyKZZRDJZCLZPYPU-UHFFFAOYSA-N
XLogP2.41
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-ol (CID 55094573) is 4-ethyl-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-ol is CCC1CCC(O)C(CN2CCCCC2CCO)C1.
What is the InChIKey of 4-ethyl-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is KZZRDJZCLZPYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-2-13-6-7-16(19)14(11-13)12-17-9-4-3-5-15(17)8-10-18/h13-16,18-19H,2-12H2,1H3.
What are the key properties of 4-ethyl-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-ol?
4-ethyl-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 55094573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).