5,7-dimethyl-3-(piperidin-4-ylmethyl)-1H-indole

C16H22N2 — CID 82497303

IUPAC5,7-dimethyl-3-(piperidin-4-ylmethyl)-1H-indole
SMILESCc1cc(C)c2[nH]cc(CC3CCNCC3)c2c1
InChIInChI=1S/C16H22N2/c1-11-7-12(2)16-15(8-11)14(10-18-16)9-13-3-5-17-6-4-13/h7-8,10,13,17-18H,3-6,9H2,1-2H3
InChIKeyXFFTVDUOYIIGTL-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.33
Rot. Bonds2

About 5,7-dimethyl-3-(piperidin-4-ylmethyl)-1H-indole

5,7-dimethyl-3-(piperidin-4-ylmethyl)-1H-indole (PubChem CID 82497303) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 5,7-dimethyl-3-(piperidin-4-ylmethyl)-1H-indole.

Molecular Properties

Compound Name5,7-dimethyl-3-(piperidin-4-ylmethyl)-1H-indole
PubChem CID82497303
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name5,7-dimethyl-3-(piperidin-4-ylmethyl)-1H-indole
SMILESCc1cc(C)c2[nH]cc(CC3CCNCC3)c2c1
InChIInChI=1S/C16H22N2/c1-11-7-12(2)16-15(8-11)14(10-18-16)9-13-3-5-17-6-4-13/h7-8,10,13,17-18H,3-6,9H2,1-2H3
InChIKeyXFFTVDUOYIIGTL-UHFFFAOYSA-N
XLogP3.33
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-methoxy-7-methyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82500153
5-methyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82494836
N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82494846
1-(5,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine
CID 82490831
2-(5,7-dimethyl-1H-indol-3-yl)acetonitrile
CID 82490743
5-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole
CID 18965344
4-[(2,3-difluoro-5-methylphenyl)methyl]piperidine
CID 117323666
4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786987
4,7-dimethoxy-3-(piperidin-4-ylmethyl)-1H-indole
CID 96680162
4-fluoro-2-methyl-6-(piperidin-4-ylmethyl)phenol
CID 84789132
4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine
CID 117377234
5,7-dimethyl-3-(2-methylpentyl)-1H-indole
CID 106985356

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-(piperidin-4-ylmethyl)-1H-indole?
The IUPAC name of 5,7-dimethyl-3-(piperidin-4-ylmethyl)-1H-indole (CID 82497303) is 5,7-dimethyl-3-(piperidin-4-ylmethyl)-1H-indole.
What is the SMILES notation for 5,7-dimethyl-3-(piperidin-4-ylmethyl)-1H-indole?
The canonical SMILES for 5,7-dimethyl-3-(piperidin-4-ylmethyl)-1H-indole is Cc1cc(C)c2[nH]cc(CC3CCNCC3)c2c1.
What is the InChIKey of 5,7-dimethyl-3-(piperidin-4-ylmethyl)-1H-indole?
The InChIKey is XFFTVDUOYIIGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-11-7-12(2)16-15(8-11)14(10-18-16)9-13-3-5-17-6-4-13/h7-8,10,13,17-18H,3-6,9H2,1-2H3.
What are the key properties of 5,7-dimethyl-3-(piperidin-4-ylmethyl)-1H-indole?
5,7-dimethyl-3-(piperidin-4-ylmethyl)-1H-indole has a molecular weight of 242.37 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-(piperidin-4-ylmethyl)-1H-indole is sourced from PubChem (CID 82497303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).