3-[2-(1,2,3,4-tetrahydropyridin-2-yl)propyl]-1H-pyrido[4,3-b]indole

C19H21N3 — CID 140608199

IUPAC3-[2-(1,2,3,4-tetrahydropyridin-2-yl)propyl]-1H-pyrido[4,3-b]indole
SMILESCC(CC1=NCC2=c3ccccc3=NC2=C1)C1CCC=CN1
InChIInChI=1S/C19H21N3/c1-13(17-7-4-5-9-20-17)10-14-11-19-16(12-21-14)15-6-2-3-8-18(15)22-19/h2-3,5-6,8-9,11,13,17,20H,4,7,10,12H2,1H3
InChIKeyPOPMHVWIUUPOLI-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.10
Rot. Bonds3

About 3-[2-(1,2,3,4-tetrahydropyridin-2-yl)propyl]-1H-pyrido[4,3-b]indole

3-[2-(1,2,3,4-tetrahydropyridin-2-yl)propyl]-1H-pyrido[4,3-b]indole (PubChem CID 140608199) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-[2-(1,2,3,4-tetrahydropyridin-2-yl)propyl]-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name3-[2-(1,2,3,4-tetrahydropyridin-2-yl)propyl]-1H-pyrido[4,3-b]indole
PubChem CID140608199
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name3-[2-(1,2,3,4-tetrahydropyridin-2-yl)propyl]-1H-pyrido[4,3-b]indole
SMILESCC(CC1=NCC2=c3ccccc3=NC2=C1)C1CCC=CN1
InChIInChI=1S/C19H21N3/c1-13(17-7-4-5-9-20-17)10-14-11-19-16(12-21-14)15-6-2-3-8-18(15)22-19/h2-3,5-6,8-9,11,13,17,20H,4,7,10,12H2,1H3
InChIKeyPOPMHVWIUUPOLI-UHFFFAOYSA-N
XLogP2.10
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,2,3,4-tetrahydropyridin-2-yl)propyl]-1H-pyrido[4,3-b]indole?
The IUPAC name of 3-[2-(1,2,3,4-tetrahydropyridin-2-yl)propyl]-1H-pyrido[4,3-b]indole (CID 140608199) is 3-[2-(1,2,3,4-tetrahydropyridin-2-yl)propyl]-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 3-[2-(1,2,3,4-tetrahydropyridin-2-yl)propyl]-1H-pyrido[4,3-b]indole?
The canonical SMILES for 3-[2-(1,2,3,4-tetrahydropyridin-2-yl)propyl]-1H-pyrido[4,3-b]indole is CC(CC1=NCC2=c3ccccc3=NC2=C1)C1CCC=CN1.
What is the InChIKey of 3-[2-(1,2,3,4-tetrahydropyridin-2-yl)propyl]-1H-pyrido[4,3-b]indole?
The InChIKey is POPMHVWIUUPOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-13(17-7-4-5-9-20-17)10-14-11-19-16(12-21-14)15-6-2-3-8-18(15)22-19/h2-3,5-6,8-9,11,13,17,20H,4,7,10,12H2,1H3.
What are the key properties of 3-[2-(1,2,3,4-tetrahydropyridin-2-yl)propyl]-1H-pyrido[4,3-b]indole?
3-[2-(1,2,3,4-tetrahydropyridin-2-yl)propyl]-1H-pyrido[4,3-b]indole has a molecular weight of 291.40 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,2,3,4-tetrahydropyridin-2-yl)propyl]-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 140608199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).