7-[(2,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole

C16H24N2 — CID 113278021

IUPAC7-[(2,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCC1CCC(C)N(Cc2cccc3c2NCC3)C1
InChIInChI=1S/C16H24N2/c1-12-6-7-13(2)18(10-12)11-15-5-3-4-14-8-9-17-16(14)15/h3-5,12-13,17H,6-11H2,1-2H3
InChIKeyNGFWBTIVFPKGPW-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.28
Rot. Bonds2

About 7-[(2,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole

7-[(2,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole (PubChem CID 113278021) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 7-[(2,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[(2,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
PubChem CID113278021
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name7-[(2,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCC1CCC(C)N(Cc2cccc3c2NCC3)C1
InChIInChI=1S/C16H24N2/c1-12-6-7-13(2)18(10-12)11-15-5-3-4-14-8-9-17-16(14)15/h3-5,12-13,17H,6-11H2,1-2H3
InChIKeyNGFWBTIVFPKGPW-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-[(2-ethyl-4-methylpyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 120848786
7-[(3,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277959
4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,6-dimethylthiomorpholine
CID 113278018
4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylpiperazin-2-one
CID 113278010
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 114327059
1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride
CID 120849941
4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 120855860
7-[(7-methyl-6-azaspiro[3.4]octan-6-yl)methyl]-2,3-dihydro-1H-indole;hydrochloride
CID 120857977
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-3-amine
CID 114327278
7-[(3-methylsulfonylazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 120858029
7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327111
4-(2,3-dihydro-1H-indol-7-ylmethyl)-7-methyl-1,4-thiazepane 1,1-dioxide
CID 120857918

Frequently Asked Questions

What is the IUPAC name of 7-[(2,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[(2,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole (CID 113278021) is 7-[(2,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[(2,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[(2,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole is CC1CCC(C)N(Cc2cccc3c2NCC3)C1.
What is the InChIKey of 7-[(2,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is NGFWBTIVFPKGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12-6-7-13(2)18(10-12)11-15-5-3-4-14-8-9-17-16(14)15/h3-5,12-13,17H,6-11H2,1-2H3.
What are the key properties of 7-[(2,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole?
7-[(2,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 244.38 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 113278021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).