1-(pyridin-4-ylmethylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol

C21H25N3O — CID 56931317

IUPAC1-(pyridin-4-ylmethylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
SMILESOC(CNCc1ccncc1)Cn1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C21H25N3O/c25-17(14-23-13-16-9-11-22-12-10-16)15-24-20-7-3-1-5-18(20)19-6-2-4-8-21(19)24/h1,3,5,7,9-12,17,23,25H,2,4,6,8,13-15H2
InChIKeyFEXHFXLQIFGDJC-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.07
Rot. Bonds6

About 1-(pyridin-4-ylmethylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol

1-(pyridin-4-ylmethylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol (PubChem CID 56931317) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-(pyridin-4-ylmethylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
PubChem CID56931317
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name1-(pyridin-4-ylmethylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
SMILESOC(CNCc1ccncc1)Cn1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C21H25N3O/c25-17(14-23-13-16-9-11-22-12-10-16)15-24-20-7-3-1-5-18(20)19-6-2-4-8-21(19)24/h1,3,5,7,9-12,17,23,25H,2,4,6,8,13-15H2
InChIKeyFEXHFXLQIFGDJC-UHFFFAOYSA-N
XLogP3.07
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-4-ylmethylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1-(pyridin-4-ylmethylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol (CID 56931317) is 1-(pyridin-4-ylmethylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1-(pyridin-4-ylmethylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1-(pyridin-4-ylmethylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol is OC(CNCc1ccncc1)Cn1c2c(c3ccccc31)CCCC2.
What is the InChIKey of 1-(pyridin-4-ylmethylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
The InChIKey is FEXHFXLQIFGDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c25-17(14-23-13-16-9-11-22-12-10-16)15-24-20-7-3-1-5-18(20)19-6-2-4-8-21(19)24/h1,3,5,7,9-12,17,23,25H,2,4,6,8,13-15H2.
What are the key properties of 1-(pyridin-4-ylmethylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
1-(pyridin-4-ylmethylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol has a molecular weight of 335.45 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-4-ylmethylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 56931317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).