1-cyclohexyl-2-pyrido[2,3-b]indol-9-ylethanol

C19H22N2O — CID 127028910

IUPAC1-cyclohexyl-2-pyrido[2,3-b]indol-9-ylethanol
SMILESOC(Cn1c2ccccc2c2cccnc21)C1CCCCC1
InChIInChI=1S/C19H22N2O/c22-18(14-7-2-1-3-8-14)13-21-17-11-5-4-9-15(17)16-10-6-12-20-19(16)21/h4-6,9-12,14,18,22H,1-3,7-8,13H2
InChIKeyFONGYHWATRQKFH-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.13
Rot. Bonds3

About 1-cyclohexyl-2-pyrido[2,3-b]indol-9-ylethanol

1-cyclohexyl-2-pyrido[2,3-b]indol-9-ylethanol (PubChem CID 127028910) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-cyclohexyl-2-pyrido[2,3-b]indol-9-ylethanol.

Molecular Properties

Compound Name1-cyclohexyl-2-pyrido[2,3-b]indol-9-ylethanol
PubChem CID127028910
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-cyclohexyl-2-pyrido[2,3-b]indol-9-ylethanol
SMILESOC(Cn1c2ccccc2c2cccnc21)C1CCCCC1
InChIInChI=1S/C19H22N2O/c22-18(14-7-2-1-3-8-14)13-21-17-11-5-4-9-15(17)16-10-6-12-20-19(16)21/h4-6,9-12,14,18,22H,1-3,7-8,13H2
InChIKeyFONGYHWATRQKFH-UHFFFAOYSA-N
XLogP4.13
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-pyrido[2,3-b]indol-9-ylethanol?
The IUPAC name of 1-cyclohexyl-2-pyrido[2,3-b]indol-9-ylethanol (CID 127028910) is 1-cyclohexyl-2-pyrido[2,3-b]indol-9-ylethanol.
What is the SMILES notation for 1-cyclohexyl-2-pyrido[2,3-b]indol-9-ylethanol?
The canonical SMILES for 1-cyclohexyl-2-pyrido[2,3-b]indol-9-ylethanol is OC(Cn1c2ccccc2c2cccnc21)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-pyrido[2,3-b]indol-9-ylethanol?
The InChIKey is FONGYHWATRQKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c22-18(14-7-2-1-3-8-14)13-21-17-11-5-4-9-15(17)16-10-6-12-20-19(16)21/h4-6,9-12,14,18,22H,1-3,7-8,13H2.
What are the key properties of 1-cyclohexyl-2-pyrido[2,3-b]indol-9-ylethanol?
1-cyclohexyl-2-pyrido[2,3-b]indol-9-ylethanol has a molecular weight of 294.40 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-pyrido[2,3-b]indol-9-ylethanol is sourced from PubChem (CID 127028910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).