7-piperidin-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole

C16H20N2 — CID 117353822

IUPAC7-piperidin-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESc1cc2[nH]c3c(c2cc1C1CCCCN1)CCC3
InChIInChI=1S/C16H20N2/c1-2-9-17-14(5-1)11-7-8-16-13(10-11)12-4-3-6-15(12)18-16/h7-8,10,14,17-18H,1-6,9H2
InChIKeyVBUGFDQKXQUCJF-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.47
Rot. Bonds1

About 7-piperidin-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole

7-piperidin-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole (PubChem CID 117353822) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 7-piperidin-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole.

Molecular Properties

Compound Name7-piperidin-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole
PubChem CID117353822
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name7-piperidin-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESc1cc2[nH]c3c(c2cc1C1CCCCN1)CCC3
InChIInChI=1S/C16H20N2/c1-2-9-17-14(5-1)11-7-8-16-13(10-11)12-4-3-6-15(12)18-16/h7-8,10,14,17-18H,1-6,9H2
InChIKeyVBUGFDQKXQUCJF-UHFFFAOYSA-N
XLogP3.47
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-piperidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole
CID 117394556
8-pyrrolidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole
CID 117358131
6-(4-methylpiperazin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole
CID 116996596
7-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 117353788
5-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)pyrrolidine-3-carboxylic acid
CID 117457954
(2R)-2-(2,3-dihydro-1H-cyclopenta[a]naphthalen-8-yl)pyrrolidine
CID 66519507
7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 4770206
2-methyl-4-[(2R)-piperidin-2-yl]phenol
CID 131198389
2-methyl-5-piperidin-2-ylaniline
CID 55272863
6,7,8,9-tetrahydro-5H-carbazol-3-ylmethanamine
CID 3156790
(2S)-2-(4-bromophenyl)piperidine
CID 7022866
4-piperidin-2-ylphenol
CID 19711202

Frequently Asked Questions

What is the IUPAC name of 7-piperidin-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole?
The IUPAC name of 7-piperidin-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole (CID 117353822) is 7-piperidin-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole.
What is the SMILES notation for 7-piperidin-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole?
The canonical SMILES for 7-piperidin-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole is c1cc2[nH]c3c(c2cc1C1CCCCN1)CCC3.
What is the InChIKey of 7-piperidin-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole?
The InChIKey is VBUGFDQKXQUCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-2-9-17-14(5-1)11-7-8-16-13(10-11)12-4-3-6-15(12)18-16/h7-8,10,14,17-18H,1-6,9H2.
What are the key properties of 7-piperidin-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole?
7-piperidin-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole has a molecular weight of 240.35 g/mol, XLogP of 3.47, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole is sourced from PubChem (CID 117353822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).