2-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indole

C14H22N2 — CID 84786345

IUPAC2-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indole
SMILESCc1[nH]c2c(c1C1CCCNC1)CCCC2
InChIInChI=1S/C14H22N2/c1-10-14(11-5-4-8-15-9-11)12-6-2-3-7-13(12)16-10/h11,15-16H,2-9H2,1H3
InChIKeySGXXMFBNBIMIKK-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.67
Rot. Bonds1

About 2-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indole

2-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indole (PubChem CID 84786345) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indole.

Molecular Properties

Compound Name2-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indole
PubChem CID84786345
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indole
SMILESCc1[nH]c2c(c1C1CCCNC1)CCCC2
InChIInChI=1S/C14H22N2/c1-10-14(11-5-4-8-15-9-11)12-6-2-3-7-13(12)16-10/h11,15-16H,2-9H2,1H3
InChIKeySGXXMFBNBIMIKK-UHFFFAOYSA-N
XLogP2.67
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-dimethyl-5-piperidin-3-yl-1H-pyrimidine-2-thione
CID 105481259
3-(2,6-dimethylphenyl)piperidine;ethane
CID 143178371
6-bromo-2-methyl-3-piperidin-3-yl-1H-indole
CID 84643993
3-(2-chloro-4,6-dimethylphenyl)piperidine
CID 84789545
3-(4,5-dimethyl-1H-imidazol-2-yl)piperidine
CID 43650978
3-bromo-5-methyl-4-piperidin-3-ylpyridine
CID 84708530
2-piperidin-3-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazole
CID 115018775
9-piperidin-3-yl-1,2,3,4-tetrahydroacridine
CID 165348457
3-chloro-5-methyl-4-piperidin-3-ylbenzene-1,2-diol
CID 117356245
3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine
CID 117376942
ethane;3-(2-methylphenyl)piperidine
CID 144655647
2-methyl-5-piperidin-3-ylpyrazine
CID 82599606

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indole?
The IUPAC name of 2-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indole (CID 84786345) is 2-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indole.
What is the SMILES notation for 2-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indole?
The canonical SMILES for 2-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indole is Cc1[nH]c2c(c1C1CCCNC1)CCCC2.
What is the InChIKey of 2-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indole?
The InChIKey is SGXXMFBNBIMIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10-14(11-5-4-8-15-9-11)12-6-2-3-7-13(12)16-10/h11,15-16H,2-9H2,1H3.
What are the key properties of 2-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indole?
2-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indole has a molecular weight of 218.34 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indole is sourced from PubChem (CID 84786345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).