9-(1-methylpiperidin-3-yl)-1,2,3,4-tetrahydropyrido[3,4-b]indole

C17H23N3 — CID 70323464

IUPAC9-(1-methylpiperidin-3-yl)-1,2,3,4-tetrahydropyrido[3,4-b]indole
SMILESCN1CCCC(n2c3c(c4ccccc42)CCNC3)C1
InChIInChI=1S/C17H23N3/c1-19-10-4-5-13(12-19)20-16-7-3-2-6-14(16)15-8-9-18-11-17(15)20/h2-3,6-7,13,18H,4-5,8-12H2,1H3
InChIKeyYXRYDCYYTBNYOG-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.55
Rot. Bonds1

About 9-(1-methylpiperidin-3-yl)-1,2,3,4-tetrahydropyrido[3,4-b]indole

9-(1-methylpiperidin-3-yl)-1,2,3,4-tetrahydropyrido[3,4-b]indole (PubChem CID 70323464) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 9-(1-methylpiperidin-3-yl)-1,2,3,4-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name9-(1-methylpiperidin-3-yl)-1,2,3,4-tetrahydropyrido[3,4-b]indole
PubChem CID70323464
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name9-(1-methylpiperidin-3-yl)-1,2,3,4-tetrahydropyrido[3,4-b]indole
SMILESCN1CCCC(n2c3c(c4ccccc42)CCNC3)C1
InChIInChI=1S/C17H23N3/c1-19-10-4-5-13(12-19)20-16-7-3-2-6-14(16)15-8-9-18-11-17(15)20/h2-3,6-7,13,18H,4-5,8-12H2,1H3
InChIKeyYXRYDCYYTBNYOG-UHFFFAOYSA-N
XLogP2.55
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(1-methylpiperidin-3-yl)-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 9-(1-methylpiperidin-3-yl)-1,2,3,4-tetrahydropyrido[3,4-b]indole (CID 70323464) is 9-(1-methylpiperidin-3-yl)-1,2,3,4-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 9-(1-methylpiperidin-3-yl)-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 9-(1-methylpiperidin-3-yl)-1,2,3,4-tetrahydropyrido[3,4-b]indole is CN1CCCC(n2c3c(c4ccccc42)CCNC3)C1.
What is the InChIKey of 9-(1-methylpiperidin-3-yl)-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The InChIKey is YXRYDCYYTBNYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-19-10-4-5-13(12-19)20-16-7-3-2-6-14(16)15-8-9-18-11-17(15)20/h2-3,6-7,13,18H,4-5,8-12H2,1H3.
What are the key properties of 9-(1-methylpiperidin-3-yl)-1,2,3,4-tetrahydropyrido[3,4-b]indole?
9-(1-methylpiperidin-3-yl)-1,2,3,4-tetrahydropyrido[3,4-b]indole has a molecular weight of 269.39 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-methylpiperidin-3-yl)-1,2,3,4-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 70323464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).