4a-methyl-9-(2-piperidin-1-ylethyl)-2,3,4,9a-tetrahydro-1H-carbazole

C20H30N2 — CID 4297069

IUPAC4a-methyl-9-(2-piperidin-1-ylethyl)-2,3,4,9a-tetrahydro-1H-carbazole
SMILESCC12CCCCC1N(CCN1CCCCC1)c1ccccc12
InChIInChI=1S/C20H30N2/c1-20-12-6-5-11-19(20)22(18-10-4-3-9-17(18)20)16-15-21-13-7-2-8-14-21/h3-4,9-10,19H,2,5-8,11-16H2,1H3
InChIKeyMHTWZUFMFGDNHF-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.19
Rot. Bonds3

About 4a-methyl-9-(2-piperidin-1-ylethyl)-2,3,4,9a-tetrahydro-1H-carbazole

4a-methyl-9-(2-piperidin-1-ylethyl)-2,3,4,9a-tetrahydro-1H-carbazole (PubChem CID 4297069) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 4a-methyl-9-(2-piperidin-1-ylethyl)-2,3,4,9a-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name4a-methyl-9-(2-piperidin-1-ylethyl)-2,3,4,9a-tetrahydro-1H-carbazole
PubChem CID4297069
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name4a-methyl-9-(2-piperidin-1-ylethyl)-2,3,4,9a-tetrahydro-1H-carbazole
SMILESCC12CCCCC1N(CCN1CCCCC1)c1ccccc12
InChIInChI=1S/C20H30N2/c1-20-12-6-5-11-19(20)22(18-10-4-3-9-17(18)20)16-15-21-13-7-2-8-14-21/h3-4,9-10,19H,2,5-8,11-16H2,1H3
InChIKeyMHTWZUFMFGDNHF-UHFFFAOYSA-N
XLogP4.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4a-methyl-9-(2-piperidin-1-ylethyl)-2,3,4,9a-tetrahydro-1H-carbazole 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

(4a-methyl-2,3,4,9a-tetrahydro-1H-carbazol-9-yl)-tert-butyl-dimethylsilane
CID 162980446
3-[(4aR,9aR)-4a-methyl-2,3,4,9a-tetrahydro-1H-carbazole-9-carbonyl]-1H-pyrazole-5-carboxylic acid
CID 167991991
4,10b-dimethyl-1,2,3,4a,5,6-hexahydrobenzo[f]quinoline
CID 15555065
8b-methyl-2,3,4,4a-tetrahydro-1H-biphenylene
CID 54289417
1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole
CID 54806650
3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 13000841
1,3-dimethyl-3-[1-(2-phenylethyl)piperidin-4-yl]azepan-2-one
CID 110261989
3-(cyclohexylmethyl)-1,3-dimethylindol-2-one
CID 102226125
[1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
CID 107912592
5-(2-piperidin-1-ylethyl)spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]
CID 13294620
1-[2-(2-methyl-1-phenylcyclohexyl)oxyethyl]piperidine;hydrochloride
CID 134109106
1'-(cyclohexylmethyl)-2-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]
CID 121359802

Frequently Asked Questions

What is the IUPAC name of 4a-methyl-9-(2-piperidin-1-ylethyl)-2,3,4,9a-tetrahydro-1H-carbazole?
The IUPAC name of 4a-methyl-9-(2-piperidin-1-ylethyl)-2,3,4,9a-tetrahydro-1H-carbazole (CID 4297069) is 4a-methyl-9-(2-piperidin-1-ylethyl)-2,3,4,9a-tetrahydro-1H-carbazole.
What is the SMILES notation for 4a-methyl-9-(2-piperidin-1-ylethyl)-2,3,4,9a-tetrahydro-1H-carbazole?
The canonical SMILES for 4a-methyl-9-(2-piperidin-1-ylethyl)-2,3,4,9a-tetrahydro-1H-carbazole is CC12CCCCC1N(CCN1CCCCC1)c1ccccc12.
What is the InChIKey of 4a-methyl-9-(2-piperidin-1-ylethyl)-2,3,4,9a-tetrahydro-1H-carbazole?
The InChIKey is MHTWZUFMFGDNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2/c1-20-12-6-5-11-19(20)22(18-10-4-3-9-17(18)20)16-15-21-13-7-2-8-14-21/h3-4,9-10,19H,2,5-8,11-16H2,1H3.
What are the key properties of 4a-methyl-9-(2-piperidin-1-ylethyl)-2,3,4,9a-tetrahydro-1H-carbazole?
4a-methyl-9-(2-piperidin-1-ylethyl)-2,3,4,9a-tetrahydro-1H-carbazole has a molecular weight of 298.47 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-methyl-9-(2-piperidin-1-ylethyl)-2,3,4,9a-tetrahydro-1H-carbazole is sourced from PubChem (CID 4297069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).