3-methyl-2-(5H-pyrido[4,3-b]indol-7-yl)butan-1-ol

C16H18N2O — CID 116986132

IUPAC3-methyl-2-(5H-pyrido[4,3-b]indol-7-yl)butan-1-ol
SMILESCC(C)C(CO)c1ccc2c(c1)[nH]c1ccncc12
InChIInChI=1S/C16H18N2O/c1-10(2)14(9-19)11-3-4-12-13-8-17-6-5-15(13)18-16(12)7-11/h3-8,10,14,18-19H,9H2,1-2H3
InChIKeyBPHBWDNNWAYEKN-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.45
Rot. Bonds3

About 3-methyl-2-(5H-pyrido[4,3-b]indol-7-yl)butan-1-ol

3-methyl-2-(5H-pyrido[4,3-b]indol-7-yl)butan-1-ol (PubChem CID 116986132) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-methyl-2-(5H-pyrido[4,3-b]indol-7-yl)butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-(5H-pyrido[4,3-b]indol-7-yl)butan-1-ol
PubChem CID116986132
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-methyl-2-(5H-pyrido[4,3-b]indol-7-yl)butan-1-ol
SMILESCC(C)C(CO)c1ccc2c(c1)[nH]c1ccncc12
InChIInChI=1S/C16H18N2O/c1-10(2)14(9-19)11-3-4-12-13-8-17-6-5-15(13)18-16(12)7-11/h3-8,10,14,18-19H,9H2,1-2H3
InChIKeyBPHBWDNNWAYEKN-UHFFFAOYSA-N
XLogP3.45
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(5H-pyrido[4,3-b]indol-7-yl)butan-1-ol?
The IUPAC name of 3-methyl-2-(5H-pyrido[4,3-b]indol-7-yl)butan-1-ol (CID 116986132) is 3-methyl-2-(5H-pyrido[4,3-b]indol-7-yl)butan-1-ol.
What is the SMILES notation for 3-methyl-2-(5H-pyrido[4,3-b]indol-7-yl)butan-1-ol?
The canonical SMILES for 3-methyl-2-(5H-pyrido[4,3-b]indol-7-yl)butan-1-ol is CC(C)C(CO)c1ccc2c(c1)[nH]c1ccncc12.
What is the InChIKey of 3-methyl-2-(5H-pyrido[4,3-b]indol-7-yl)butan-1-ol?
The InChIKey is BPHBWDNNWAYEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-10(2)14(9-19)11-3-4-12-13-8-17-6-5-15(13)18-16(12)7-11/h3-8,10,14,18-19H,9H2,1-2H3.
What are the key properties of 3-methyl-2-(5H-pyrido[4,3-b]indol-7-yl)butan-1-ol?
3-methyl-2-(5H-pyrido[4,3-b]indol-7-yl)butan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(5H-pyrido[4,3-b]indol-7-yl)butan-1-ol is sourced from PubChem (CID 116986132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).