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

C16H24N2 — CID 113277959

IUPAC7-[(3,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCC1CC(C)CN(Cc2cccc3c2NCC3)C1
InChIInChI=1S/C16H24N2/c1-12-8-13(2)10-18(9-12)11-15-5-3-4-14-6-7-17-16(14)15/h3-5,12-13,17H,6-11H2,1-2H3
InChIKeyIFPNFBTYXGBFHA-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.13
Rot. Bonds2

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

7-[(3,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole (PubChem CID 113277959) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 7-[(3,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[(3,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
PubChem CID113277959
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name7-[(3,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCC1CC(C)CN(Cc2cccc3c2NCC3)C1
InChIInChI=1S/C16H24N2/c1-12-8-13(2)10-18(9-12)11-15-5-3-4-14-6-7-17-16(14)15/h3-5,12-13,17H,6-11H2,1-2H3
InChIKeyIFPNFBTYXGBFHA-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,6-dimethylthiomorpholine
CID 113278018
1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride
CID 120849941
7-[(2-ethyl-4-methylpyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 120848786
7-[(2,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113278021
4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2,6-trimethylmorpholine
CID 114327180
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 114327059
7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277962
7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327101
7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327058
7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327111
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
CID 114326996
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-3-amine
CID 114327278

Frequently Asked Questions

What is the IUPAC name of 7-[(3,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[(3,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole (CID 113277959) is 7-[(3,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[(3,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[(3,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole is CC1CC(C)CN(Cc2cccc3c2NCC3)C1.
What is the InChIKey of 7-[(3,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is IFPNFBTYXGBFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12-8-13(2)10-18(9-12)11-15-5-3-4-14-6-7-17-16(14)15/h3-5,12-13,17H,6-11H2,1-2H3.
What are the key properties of 7-[(3,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole?
7-[(3,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 244.38 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 113277959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).