1,5-dimethyl-3-(piperidin-3-ylmethyl)indole

C16H22N2 — CID 84630406

IUPAC1,5-dimethyl-3-(piperidin-3-ylmethyl)indole
SMILESCc1ccc2c(c1)c(CC1CCCNC1)cn2C
InChIInChI=1S/C16H22N2/c1-12-5-6-16-15(8-12)14(11-18(16)2)9-13-4-3-7-17-10-13/h5-6,8,11,13,17H,3-4,7,9-10H2,1-2H3
InChIKeyDPBOLTHTOHIQKS-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.03
Rot. Bonds2

About 1,5-dimethyl-3-(piperidin-3-ylmethyl)indole

1,5-dimethyl-3-(piperidin-3-ylmethyl)indole (PubChem CID 84630406) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1,5-dimethyl-3-(piperidin-3-ylmethyl)indole.

Molecular Properties

Compound Name1,5-dimethyl-3-(piperidin-3-ylmethyl)indole
PubChem CID84630406
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1,5-dimethyl-3-(piperidin-3-ylmethyl)indole
SMILESCc1ccc2c(c1)c(CC1CCCNC1)cn2C
InChIInChI=1S/C16H22N2/c1-12-5-6-16-15(8-12)14(11-18(16)2)9-13-4-3-7-17-10-13/h5-6,8,11,13,17H,3-4,7,9-10H2,1-2H3
InChIKeyDPBOLTHTOHIQKS-UHFFFAOYSA-N
XLogP3.03
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-1-methyl-3-(piperidin-3-ylmethyl)indole
CID 84632394
1-methyl-3-(piperidin-3-ylmethyl)pyrrolo[2,3-c]pyridine
CID 84692956
4-methyl-2-(piperidin-3-ylmethyl)aniline
CID 105456884
N,N,4-trimethyl-2-(piperidin-3-ylmethyl)aniline
CID 117336984
4-methyl-2-(piperidin-3-ylmethyl)benzaldehyde
CID 117309812
3-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperidine
CID 84799772
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
6-methyl-3-(piperidin-3-ylmethyl)-1H-quinolin-2-one
CID 84635995
2-(1,5-dimethylindol-3-yl)ethanamine;hydrochloride
CID 18933143
3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine
CID 84788111
1,3-dimethyl-5-(piperidin-3-ylmethyl)benzimidazol-2-one
CID 82500378

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(piperidin-3-ylmethyl)indole?
The IUPAC name of 1,5-dimethyl-3-(piperidin-3-ylmethyl)indole (CID 84630406) is 1,5-dimethyl-3-(piperidin-3-ylmethyl)indole.
What is the SMILES notation for 1,5-dimethyl-3-(piperidin-3-ylmethyl)indole?
The canonical SMILES for 1,5-dimethyl-3-(piperidin-3-ylmethyl)indole is Cc1ccc2c(c1)c(CC1CCCNC1)cn2C.
What is the InChIKey of 1,5-dimethyl-3-(piperidin-3-ylmethyl)indole?
The InChIKey is DPBOLTHTOHIQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-12-5-6-16-15(8-12)14(11-18(16)2)9-13-4-3-7-17-10-13/h5-6,8,11,13,17H,3-4,7,9-10H2,1-2H3.
What are the key properties of 1,5-dimethyl-3-(piperidin-3-ylmethyl)indole?
1,5-dimethyl-3-(piperidin-3-ylmethyl)indole has a molecular weight of 242.37 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(piperidin-3-ylmethyl)indole is sourced from PubChem (CID 84630406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).