3-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole

C15H22N2 — CID 80567119

IUPAC3-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCC1CCCN(CC2CNc3ccccc32)C1
InChIInChI=1S/C15H22N2/c1-12-5-4-8-17(10-12)11-13-9-16-15-7-3-2-6-14(13)15/h2-3,6-7,12-13,16H,4-5,8-11H2,1H3
InChIKeyAJUVXLBGMWHGFY-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.93
Rot. Bonds2

About 3-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole

3-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole (PubChem CID 80567119) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 3-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
PubChem CID80567119
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name3-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCC1CCCN(CC2CNc3ccccc32)C1
InChIInChI=1S/C15H22N2/c1-12-5-4-8-17(10-12)11-13-9-16-15-7-3-2-6-14(13)15/h2-3,6-7,12-13,16H,4-5,8-11H2,1H3
InChIKeyAJUVXLBGMWHGFY-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 80565688
3-[(4-cyclopentylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 80565820
3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 103534870
3-[(2-methylazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 80566561
4-(2,3-dihydro-1H-indol-3-ylmethyl)thiomorpholine
CID 80567140
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-methylpiperidine-1-carboxamide
CID 79158396
3-[2-(3-ethylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole
CID 80576591
3-[2-(2,5-dimethylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole
CID 80577266
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
2-(2,3-dihydro-1H-indol-3-yl)-1-(2,5-dimethylpiperidin-1-yl)ethanone
CID 80573410
2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 80577284
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-1,5-diazocane
CID 66408448

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 3-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole (CID 80567119) is 3-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 3-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole is CC1CCCN(CC2CNc3ccccc32)C1.
What is the InChIKey of 3-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is AJUVXLBGMWHGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-12-5-4-8-17(10-12)11-13-9-16-15-7-3-2-6-14(13)15/h2-3,6-7,12-13,16H,4-5,8-11H2,1H3.
What are the key properties of 3-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole?
3-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 230.36 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 80567119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).