2-[5-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-3-yl]pyrazol-1-yl]ethanol

C19H33N3O2 — CID 71891318

IUPAC2-[5-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-3-yl]pyrazol-1-yl]ethanol
SMILESCC1CCCCC1OCCN1CCCC(c2ccnn2CCO)C1
InChIInChI=1S/C19H33N3O2/c1-16-5-2-3-7-19(16)24-14-12-21-10-4-6-17(15-21)18-8-9-20-22(18)11-13-23/h8-9,16-17,19,23H,2-7,10-15H2,1H3
InChIKeyCNVUBZVGIGHPGJ-UHFFFAOYSA-N
MW335.49 g/mol
LogP2.65
Rot. Bonds7

About 2-[5-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-3-yl]pyrazol-1-yl]ethanol

2-[5-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-3-yl]pyrazol-1-yl]ethanol (PubChem CID 71891318) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 2-[5-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-3-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-3-yl]pyrazol-1-yl]ethanol
PubChem CID71891318
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name2-[5-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-3-yl]pyrazol-1-yl]ethanol
SMILESCC1CCCCC1OCCN1CCCC(c2ccnn2CCO)C1
InChIInChI=1S/C19H33N3O2/c1-16-5-2-3-7-19(16)24-14-12-21-10-4-6-17(15-21)18-8-9-20-22(18)11-13-23/h8-9,16-17,19,23H,2-7,10-15H2,1H3
InChIKeyCNVUBZVGIGHPGJ-UHFFFAOYSA-N
XLogP2.65
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-3-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-3-yl]pyrazol-1-yl]ethanol (CID 71891318) is 2-[5-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-3-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-3-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-3-yl]pyrazol-1-yl]ethanol is CC1CCCCC1OCCN1CCCC(c2ccnn2CCO)C1.
What is the InChIKey of 2-[5-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-3-yl]pyrazol-1-yl]ethanol?
The InChIKey is CNVUBZVGIGHPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-16-5-2-3-7-19(16)24-14-12-21-10-4-6-17(15-21)18-8-9-20-22(18)11-13-23/h8-9,16-17,19,23H,2-7,10-15H2,1H3.
What are the key properties of 2-[5-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-3-yl]pyrazol-1-yl]ethanol?
2-[5-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-3-yl]pyrazol-1-yl]ethanol has a molecular weight of 335.49 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-3-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 71891318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).