1-methyl-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylmethyl)piperidin-3-ol

C18H25N3O — CID 56729983

IUPAC1-methyl-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylmethyl)piperidin-3-ol
SMILESCN1CCCC(O)(CN2CCc3[nH]c4ccccc4c3C2)C1
InChIInChI=1S/C18H25N3O/c1-20-9-4-8-18(22,12-20)13-21-10-7-17-15(11-21)14-5-2-3-6-16(14)19-17/h2-3,5-6,19,22H,4,7-13H2,1H3
InChIKeyLNEZLZQNIHGLNV-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.98
Rot. Bonds2

About 1-methyl-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylmethyl)piperidin-3-ol

1-methyl-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylmethyl)piperidin-3-ol (PubChem CID 56729983) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-methyl-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-methyl-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylmethyl)piperidin-3-ol
PubChem CID56729983
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1-methyl-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylmethyl)piperidin-3-ol
SMILESCN1CCCC(O)(CN2CCc3[nH]c4ccccc4c3C2)C1
InChIInChI=1S/C18H25N3O/c1-20-9-4-8-18(22,12-20)13-21-10-7-17-15(11-21)14-5-2-3-6-16(14)19-17/h2-3,5-6,19,22H,4,7-13H2,1H3
InChIKeyLNEZLZQNIHGLNV-UHFFFAOYSA-N
XLogP1.98
TPSA42.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methyl-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylmethyl)piperidin-3-ol?
The IUPAC name of 1-methyl-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylmethyl)piperidin-3-ol (CID 56729983) is 1-methyl-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylmethyl)piperidin-3-ol.
What is the SMILES notation for 1-methyl-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylmethyl)piperidin-3-ol?
The canonical SMILES for 1-methyl-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylmethyl)piperidin-3-ol is CN1CCCC(O)(CN2CCc3[nH]c4ccccc4c3C2)C1.
What is the InChIKey of 1-methyl-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylmethyl)piperidin-3-ol?
The InChIKey is LNEZLZQNIHGLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-20-9-4-8-18(22,12-20)13-21-10-7-17-15(11-21)14-5-2-3-6-16(14)19-17/h2-3,5-6,19,22H,4,7-13H2,1H3.
What are the key properties of 1-methyl-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylmethyl)piperidin-3-ol?
1-methyl-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylmethyl)piperidin-3-ol has a molecular weight of 299.42 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 56729983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).