3-ethynyl-4-(4-piperidin-4-yloxycyclohexyl)oxypyridine

C18H24N2O2 — CID 89285271

IUPAC3-ethynyl-4-(4-piperidin-4-yloxycyclohexyl)oxypyridine
SMILESC#Cc1cnccc1OC1CCC(OC2CCNCC2)CC1
InChIInChI=1S/C18H24N2O2/c1-2-14-13-20-12-9-18(14)22-16-5-3-15(4-6-16)21-17-7-10-19-11-8-17/h1,9,12-13,15-17,19H,3-8,10-11H2
InChIKeyUTJKODIQBMLZGM-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.52
Rot. Bonds4

About 3-ethynyl-4-(4-piperidin-4-yloxycyclohexyl)oxypyridine

3-ethynyl-4-(4-piperidin-4-yloxycyclohexyl)oxypyridine (PubChem CID 89285271) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-ethynyl-4-(4-piperidin-4-yloxycyclohexyl)oxypyridine.

Molecular Properties

Compound Name3-ethynyl-4-(4-piperidin-4-yloxycyclohexyl)oxypyridine
PubChem CID89285271
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-ethynyl-4-(4-piperidin-4-yloxycyclohexyl)oxypyridine
SMILESC#Cc1cnccc1OC1CCC(OC2CCNCC2)CC1
InChIInChI=1S/C18H24N2O2/c1-2-14-13-20-12-9-18(14)22-16-5-3-15(4-6-16)21-17-7-10-19-11-8-17/h1,9,12-13,15-17,19H,3-8,10-11H2
InChIKeyUTJKODIQBMLZGM-UHFFFAOYSA-N
XLogP2.52
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-4-(4-piperidin-4-yloxycyclohexyl)oxypyridine?
The IUPAC name of 3-ethynyl-4-(4-piperidin-4-yloxycyclohexyl)oxypyridine (CID 89285271) is 3-ethynyl-4-(4-piperidin-4-yloxycyclohexyl)oxypyridine.
What is the SMILES notation for 3-ethynyl-4-(4-piperidin-4-yloxycyclohexyl)oxypyridine?
The canonical SMILES for 3-ethynyl-4-(4-piperidin-4-yloxycyclohexyl)oxypyridine is C#Cc1cnccc1OC1CCC(OC2CCNCC2)CC1.
What is the InChIKey of 3-ethynyl-4-(4-piperidin-4-yloxycyclohexyl)oxypyridine?
The InChIKey is UTJKODIQBMLZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-2-14-13-20-12-9-18(14)22-16-5-3-15(4-6-16)21-17-7-10-19-11-8-17/h1,9,12-13,15-17,19H,3-8,10-11H2.
What are the key properties of 3-ethynyl-4-(4-piperidin-4-yloxycyclohexyl)oxypyridine?
3-ethynyl-4-(4-piperidin-4-yloxycyclohexyl)oxypyridine has a molecular weight of 300.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-4-(4-piperidin-4-yloxycyclohexyl)oxypyridine is sourced from PubChem (CID 89285271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).