5-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole

C16H22N2 — CID 167666538

IUPAC5-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole
SMILESCc1ccc2c(ccn2C[C@H]2CCCCN2C)c1
InChIInChI=1S/C16H22N2/c1-13-6-7-16-14(11-13)8-10-18(16)12-15-5-3-4-9-17(15)2/h6-8,10-11,15H,3-5,9,12H2,1-2H3/t15-/m1/s1
InChIKeySSNPIDHUBXFDQV-OAHLLOKOSA-N
MW242.37 g/mol
LogP3.43
Rot. Bonds2

About 5-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole

5-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole (PubChem CID 167666538) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 5-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole.

Molecular Properties

Compound Name5-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole
PubChem CID167666538
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name5-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole
SMILESCc1ccc2c(ccn2C[C@H]2CCCCN2C)c1
InChIInChI=1S/C16H22N2/c1-13-6-7-16-14(11-13)8-10-18(16)12-15-5-3-4-9-17(15)2/h6-8,10-11,15H,3-5,9,12H2,1-2H3/t15-/m1/s1
InChIKeySSNPIDHUBXFDQV-OAHLLOKOSA-N
XLogP3.43
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indole
CID 123227825
5-methoxy-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole
CID 154694298
5-methyl-1-(oxiran-2-ylmethyl)indole
CID 54857157
N-(3-methyl-2-nitrophenyl)-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-5-amine
CID 56995113
1-(3-bicyclo[3.1.1]heptanylmethyl)-5-methylindole
CID 59004665
N-[1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indol-5-yl]thiophene-2-carboxamide
CID 141192454
N-[2-(5-methylindol-1-yl)ethyl]cyclopropanamine
CID 63556204
2-methyl-1-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]indole
CID 92981302
1-(2-methoxyethyl)-5-methylindole
CID 116622979
5-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)indole
CID 102901099
2-[2-(5-methylindol-1-yl)ethyl]cyclopentan-1-one
CID 79570304
6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indole
CID 107914201

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole?
The IUPAC name of 5-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole (CID 167666538) is 5-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole.
What is the SMILES notation for 5-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole?
The canonical SMILES for 5-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole is Cc1ccc2c(ccn2C[C@H]2CCCCN2C)c1.
What is the InChIKey of 5-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole?
The InChIKey is SSNPIDHUBXFDQV-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N2/c1-13-6-7-16-14(11-13)8-10-18(16)12-15-5-3-4-9-17(15)2/h6-8,10-11,15H,3-5,9,12H2,1-2H3/t15-/m1/s1.
What are the key properties of 5-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole?
5-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole has a molecular weight of 242.37 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole is sourced from PubChem (CID 167666538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).