5-(2-phenylethyl)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole

C19H22N2 — CID 18788976

IUPAC5-(2-phenylethyl)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole
SMILESc1ccc(CCN2c3ccccc3C3CNCCC32)cc1
InChIInChI=1S/C19H22N2/c1-2-6-15(7-3-1)11-13-21-18-9-5-4-8-16(18)17-14-20-12-10-19(17)21/h1-9,17,19-20H,10-14H2
InChIKeyBQXJDRZCEBPLSB-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.19
Rot. Bonds3

About 5-(2-phenylethyl)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole

5-(2-phenylethyl)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole (PubChem CID 18788976) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-(2-phenylethyl)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name5-(2-phenylethyl)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole
PubChem CID18788976
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name5-(2-phenylethyl)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole
SMILESc1ccc(CCN2c3ccccc3C3CNCCC32)cc1
InChIInChI=1S/C19H22N2/c1-2-6-15(7-3-1)11-13-21-18-9-5-4-8-16(18)17-14-20-12-10-19(17)21/h1-9,17,19-20H,10-14H2
InChIKeyBQXJDRZCEBPLSB-UHFFFAOYSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole?
The IUPAC name of 5-(2-phenylethyl)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole (CID 18788976) is 5-(2-phenylethyl)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole.
What is the SMILES notation for 5-(2-phenylethyl)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole?
The canonical SMILES for 5-(2-phenylethyl)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole is c1ccc(CCN2c3ccccc3C3CNCCC32)cc1.
What is the InChIKey of 5-(2-phenylethyl)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole?
The InChIKey is BQXJDRZCEBPLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-2-6-15(7-3-1)11-13-21-18-9-5-4-8-16(18)17-14-20-12-10-19(17)21/h1-9,17,19-20H,10-14H2.
What are the key properties of 5-(2-phenylethyl)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole?
5-(2-phenylethyl)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole has a molecular weight of 278.40 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole is sourced from PubChem (CID 18788976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).