8-piperidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole

C16H20N2O — CID 117394556

IUPAC8-piperidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole
SMILESc1cc2[nH]c3c(c2cc1C1CCCCN1)COCC3
InChIInChI=1S/C16H20N2O/c1-2-7-17-14(3-1)11-4-5-15-12(9-11)13-10-19-8-6-16(13)18-15/h4-5,9,14,17-18H,1-3,6-8,10H2
InChIKeyBRQMAAXHPUHTOX-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.06
Rot. Bonds1

About 8-piperidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole

8-piperidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole (PubChem CID 117394556) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 8-piperidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole.

Molecular Properties

Compound Name8-piperidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole
PubChem CID117394556
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name8-piperidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole
SMILESc1cc2[nH]c3c(c2cc1C1CCCCN1)COCC3
InChIInChI=1S/C16H20N2O/c1-2-7-17-14(3-1)11-4-5-15-12(9-11)13-10-19-8-6-16(13)18-15/h4-5,9,14,17-18H,1-3,6-8,10H2
InChIKeyBRQMAAXHPUHTOX-UHFFFAOYSA-N
XLogP3.06
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-piperidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-pyrrolidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole
CID 117358131
7-piperidin-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 117353822
8-(piperidin-4-ylmethyl)-1,3,4,5-tetrahydropyrano[4,3-b]indole
CID 117429365
6-(4-methylpiperazin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole
CID 116996596
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 96763073
O-[2-(1,3,4,5-tetrahydropyrano[4,3-b]indol-8-yl)ethyl]hydroxylamine
CID 117336573
2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane
CID 5210314
3-pyrrolidin-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 83847308
ethyl 2-oxo-2-(1,3,4,5-tetrahydropyrano[4,3-b]indol-8-yl)acetate
CID 117435495
N-cyclopentyl-4-piperidin-2-ylaniline
CID 145056454
(2R)-2-(2,3-dihydro-1H-cyclopenta[a]naphthalen-8-yl)pyrrolidine
CID 66519507
6-(azepan-2-yl)-1H-indazole
CID 81146636

Frequently Asked Questions

What is the IUPAC name of 8-piperidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole?
The IUPAC name of 8-piperidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole (CID 117394556) is 8-piperidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole.
What is the SMILES notation for 8-piperidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole?
The canonical SMILES for 8-piperidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole is c1cc2[nH]c3c(c2cc1C1CCCCN1)COCC3.
What is the InChIKey of 8-piperidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole?
The InChIKey is BRQMAAXHPUHTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-7-17-14(3-1)11-4-5-15-12(9-11)13-10-19-8-6-16(13)18-15/h4-5,9,14,17-18H,1-3,6-8,10H2.
What are the key properties of 8-piperidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole?
8-piperidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole has a molecular weight of 256.35 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-piperidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole is sourced from PubChem (CID 117394556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).