1-ethyl-3-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]piperidin-3-ol

C19H26FN3O — CID 56730042

IUPAC1-ethyl-3-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]piperidin-3-ol
SMILESCCN1CCCC(O)(CN2CCc3[nH]c4ccc(F)cc4c3C2)C1
InChIInChI=1S/C19H26FN3O/c1-2-22-8-3-7-19(24,12-22)13-23-9-6-18-16(11-23)15-10-14(20)4-5-17(15)21-18/h4-5,10,21,24H,2-3,6-9,11-13H2,1H3
InChIKeyPFVZJFGECIWPMA-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.51
Rot. Bonds3

About 1-ethyl-3-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]piperidin-3-ol

1-ethyl-3-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]piperidin-3-ol (PubChem CID 56730042) has the molecular formula C19H26FN3O and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-ethyl-3-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-ethyl-3-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]piperidin-3-ol
PubChem CID56730042
Molecular FormulaC19H26FN3O
Molecular Weight331.44 g/mol
Exact Mass331.21
IUPAC Name1-ethyl-3-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]piperidin-3-ol
SMILESCCN1CCCC(O)(CN2CCc3[nH]c4ccc(F)cc4c3C2)C1
InChIInChI=1S/C19H26FN3O/c1-2-22-8-3-7-19(24,12-22)13-23-9-6-18-16(11-23)15-10-14(20)4-5-17(15)21-18/h4-5,10,21,24H,2-3,6-9,11-13H2,1H3
InChIKeyPFVZJFGECIWPMA-UHFFFAOYSA-N
XLogP2.51
TPSA42.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]piperidin-3-ol with MolForge

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Related Compounds

1-methyl-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylmethyl)piperidin-3-ol
CID 56729983
2-ethyl-7-fluoro-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole
CID 71425514
8-fluoro-2-[4-(4-fluorophenyl)butyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 124781824
2-ethyl-6,8-difluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 65335800
2-(4-fluorophenyl)-5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pentanenitrile
CID 70619119
4-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-1,3-oxazolidin-2-one
CID 122154149
3-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propyl 4-fluorobenzoate
CID 122174311
5-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-4-methylthiadiazole
CID 122154350
8-fluoro-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 47071855
2-ethyl-7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 144821043
2-fluoro-9-methyl-6,7,8,10-tetrahydro-5H-cyclohepta[b]indol-9-amine
CID 71101672
8-fluoro-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 106821098

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]piperidin-3-ol?
The IUPAC name of 1-ethyl-3-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]piperidin-3-ol (CID 56730042) is 1-ethyl-3-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-ethyl-3-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]piperidin-3-ol?
The canonical SMILES for 1-ethyl-3-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]piperidin-3-ol is CCN1CCCC(O)(CN2CCc3[nH]c4ccc(F)cc4c3C2)C1.
What is the InChIKey of 1-ethyl-3-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]piperidin-3-ol?
The InChIKey is PFVZJFGECIWPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O/c1-2-22-8-3-7-19(24,12-22)13-23-9-6-18-16(11-23)15-10-14(20)4-5-17(15)21-18/h4-5,10,21,24H,2-3,6-9,11-13H2,1H3.
What are the key properties of 1-ethyl-3-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]piperidin-3-ol?
1-ethyl-3-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]piperidin-3-ol has a molecular weight of 331.44 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 56730042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).