6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-ethoxy-3-methylcyclohexyl)methanol

C18H27NO2 — CID 116755172

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-ethoxy-3-methylcyclohexyl)methanol
SMILESCCOC1(C(O)C2CCc3cccnc32)CCCC(C)C1
InChIInChI=1S/C18H27NO2/c1-3-21-18(10-4-6-13(2)12-18)17(20)15-9-8-14-7-5-11-19-16(14)15/h5,7,11,13,15,17,20H,3-4,6,8-10,12H2,1-2H3
InChIKeyXGJAQXTWQPBBBG-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.46
Rot. Bonds4

About 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-ethoxy-3-methylcyclohexyl)methanol

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-ethoxy-3-methylcyclohexyl)methanol (PubChem CID 116755172) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-ethoxy-3-methylcyclohexyl)methanol.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-ethoxy-3-methylcyclohexyl)methanol
PubChem CID116755172
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-ethoxy-3-methylcyclohexyl)methanol
SMILESCCOC1(C(O)C2CCc3cccnc32)CCCC(C)C1
InChIInChI=1S/C18H27NO2/c1-3-21-18(10-4-6-13(2)12-18)17(20)15-9-8-14-7-5-11-19-16(14)15/h5,7,11,13,15,17,20H,3-4,6,8-10,12H2,1-2H3
InChIKeyXGJAQXTWQPBBBG-UHFFFAOYSA-N
XLogP3.46
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-ethoxy-3-methylcyclohexyl)methanol?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-ethoxy-3-methylcyclohexyl)methanol (CID 116755172) is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-ethoxy-3-methylcyclohexyl)methanol.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-ethoxy-3-methylcyclohexyl)methanol?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-ethoxy-3-methylcyclohexyl)methanol is CCOC1(C(O)C2CCc3cccnc32)CCCC(C)C1.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-ethoxy-3-methylcyclohexyl)methanol?
The InChIKey is XGJAQXTWQPBBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-21-18(10-4-6-13(2)12-18)17(20)15-9-8-14-7-5-11-19-16(14)15/h5,7,11,13,15,17,20H,3-4,6,8-10,12H2,1-2H3.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-ethoxy-3-methylcyclohexyl)methanol?
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-ethoxy-3-methylcyclohexyl)methanol has a molecular weight of 289.42 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-ethoxy-3-methylcyclohexyl)methanol is sourced from PubChem (CID 116755172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).