2-methyl-3-(piperazin-1-ylmethyl)-3a,7a-dihydro-3H-indole

C14H21N3 — CID 90849792

IUPAC2-methyl-3-(piperazin-1-ylmethyl)-3a,7a-dihydro-3H-indole
SMILESCC1=NC2C=CC=CC2C1CN1CCNCC1
InChIInChI=1S/C14H21N3/c1-11-13(10-17-8-6-15-7-9-17)12-4-2-3-5-14(12)16-11/h2-5,12-15H,6-10H2,1H3
InChIKeyHEGFOZUMMGALHA-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.09
Rot. Bonds2

About 2-methyl-3-(piperazin-1-ylmethyl)-3a,7a-dihydro-3H-indole

2-methyl-3-(piperazin-1-ylmethyl)-3a,7a-dihydro-3H-indole (PubChem CID 90849792) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-methyl-3-(piperazin-1-ylmethyl)-3a,7a-dihydro-3H-indole.

Molecular Properties

Compound Name2-methyl-3-(piperazin-1-ylmethyl)-3a,7a-dihydro-3H-indole
PubChem CID90849792
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-methyl-3-(piperazin-1-ylmethyl)-3a,7a-dihydro-3H-indole
SMILESCC1=NC2C=CC=CC2C1CN1CCNCC1
InChIInChI=1S/C14H21N3/c1-11-13(10-17-8-6-15-7-9-17)12-4-2-3-5-14(12)16-11/h2-5,12-15H,6-10H2,1H3
InChIKeyHEGFOZUMMGALHA-UHFFFAOYSA-N
XLogP1.09
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-2,3,4,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole
CID 90852966
4,4a,4b,8a,9,9a-hexahydro-1H-pyrido[3,4-b]indole
CID 20431557
2-Methyl-2-piperidin-4-ylbenzimidazole
CID 21268299
6-Piperidin-4-yl-2,5-dihydropyridine
CID 57184087
3-piperidin-4-yl-5,6-dihydro-1H-isoindole
CID 58690582
2-piperidin-4-yl-2H-indole
CID 69374500
1,2,3,4,6,7,7a,7b-Octahydroindolo[2,3-a]quinolizin-2-amine
CID 70598546
2,3,4,4a,4b,5-hexahydro-1H-pyrido[3,4-b]indole
CID 90212284
N'-(3a,7a-dihydro-3H-indol-3-ylmethyl)ethane-1,2-diamine
CID 90712845
3-methyl-2-[(1Z)-penta-1,3,4-trienyl]-3a,4,5,6,7,7a-hexahydro-3H-pyrrolo[2,3-c]pyridine
CID 90746808
1,2,3,5a,5b,9a-Hexahydroazepino[3,4-b]indole
CID 91257589
6,8-dimethyl-2,3,4,5a,6,9b-hexahydro-1H-pyrido[4,3-b]indole
CID 91352720

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(piperazin-1-ylmethyl)-3a,7a-dihydro-3H-indole?
The IUPAC name of 2-methyl-3-(piperazin-1-ylmethyl)-3a,7a-dihydro-3H-indole (CID 90849792) is 2-methyl-3-(piperazin-1-ylmethyl)-3a,7a-dihydro-3H-indole.
What is the SMILES notation for 2-methyl-3-(piperazin-1-ylmethyl)-3a,7a-dihydro-3H-indole?
The canonical SMILES for 2-methyl-3-(piperazin-1-ylmethyl)-3a,7a-dihydro-3H-indole is CC1=NC2C=CC=CC2C1CN1CCNCC1.
What is the InChIKey of 2-methyl-3-(piperazin-1-ylmethyl)-3a,7a-dihydro-3H-indole?
The InChIKey is HEGFOZUMMGALHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-11-13(10-17-8-6-15-7-9-17)12-4-2-3-5-14(12)16-11/h2-5,12-15H,6-10H2,1H3.
What are the key properties of 2-methyl-3-(piperazin-1-ylmethyl)-3a,7a-dihydro-3H-indole?
2-methyl-3-(piperazin-1-ylmethyl)-3a,7a-dihydro-3H-indole has a molecular weight of 231.34 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(piperazin-1-ylmethyl)-3a,7a-dihydro-3H-indole is sourced from PubChem (CID 90849792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).