2-(piperidin-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole

C17H23N3 — CID 22154185

IUPAC2-(piperidin-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESc1ccc2c3c([nH]c2c1)CN(CN1CCCCC1)CC3
InChIInChI=1S/C17H23N3/c1-4-9-19(10-5-1)13-20-11-8-15-14-6-2-3-7-16(14)18-17(15)12-20/h2-3,6-7,18H,1,4-5,8-13H2
InChIKeyNWUYZILQFKOKKK-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.97
Rot. Bonds2

About 2-(piperidin-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole

2-(piperidin-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 22154185) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID22154185
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-(piperidin-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESc1ccc2c3c([nH]c2c1)CN(CN1CCCCC1)CC3
InChIInChI=1S/C17H23N3/c1-4-9-19(10-5-1)13-20-11-8-15-14-6-2-3-7-16(14)18-17(15)12-20/h2-3,6-7,18H,1,4-5,8-13H2
InChIKeyNWUYZILQFKOKKK-UHFFFAOYSA-N
XLogP2.97
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-1-yl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
CID 166309093
ethane;2-(2-fluoro-2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 156709486
1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine
CID 118402613
2-fluoro-2-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-ol
CID 156709538
2-[(3-chlorophenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 766064
N-methyl-N-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)acetamide
CID 130265518
1-(benzylamino)-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-ol
CID 154638273
2-[(3-methylthiophen-2-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 40514091
2-[[1-(2-fluorophenyl)triazol-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 155513334
2-(quinolin-3-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 3867472
1-(4-fluorophenyl)-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)butan-1-one
CID 18621486
2-methyl-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole;molecular hydrogen
CID 143420706

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 2-(piperidin-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole (CID 22154185) is 2-(piperidin-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 2-(piperidin-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole is c1ccc2c3c([nH]c2c1)CN(CN1CCCCC1)CC3.
What is the InChIKey of 2-(piperidin-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The InChIKey is NWUYZILQFKOKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-4-9-19(10-5-1)13-20-11-8-15-14-6-2-3-7-16(14)18-17(15)12-20/h2-3,6-7,18H,1,4-5,8-13H2.
What are the key properties of 2-(piperidin-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
2-(piperidin-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 269.39 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 22154185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).