7-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]-2,3-dihydro-1H-indole

C17H26N2O — CID 120849963

IUPAC7-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]-2,3-dihydro-1H-indole
SMILESCOCC1(C)CCN(Cc2cccc3c2NCC3)CC1
InChIInChI=1S/C17H26N2O/c1-17(13-20-2)7-10-19(11-8-17)12-15-5-3-4-14-6-9-18-16(14)15/h3-5,18H,6-13H2,1-2H3
InChIKeyVCCZRZGQRJODKH-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.90
Rot. Bonds4

About 7-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]-2,3-dihydro-1H-indole

7-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]-2,3-dihydro-1H-indole (PubChem CID 120849963) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 7-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]-2,3-dihydro-1H-indole
PubChem CID120849963
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name7-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]-2,3-dihydro-1H-indole
SMILESCOCC1(C)CCN(Cc2cccc3c2NCC3)CC1
InChIInChI=1S/C17H26N2O/c1-17(13-20-2)7-10-19(11-8-17)12-15-5-3-4-14-6-9-18-16(14)15/h3-5,18H,6-13H2,1-2H3
InChIKeyVCCZRZGQRJODKH-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327058
7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327101
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
CID 114326996
7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277962
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 114327059
4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2-dimethylmorpholine
CID 113277982
[4-benzyl-1-(2,3-dihydro-1H-indol-7-ylmethyl)piperidin-4-yl]methanol
CID 120858037
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120857770
(2R)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]propan-2-ol
CID 120848864
7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 114327215
7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327111
7-(5-azaspiro[2.5]octan-5-ylmethyl)-2,3-dihydro-1H-indole;hydrochloride
CID 120856919

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]-2,3-dihydro-1H-indole (CID 120849963) is 7-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]-2,3-dihydro-1H-indole is COCC1(C)CCN(Cc2cccc3c2NCC3)CC1.
What is the InChIKey of 7-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]-2,3-dihydro-1H-indole?
The InChIKey is VCCZRZGQRJODKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(13-20-2)7-10-19(11-8-17)12-15-5-3-4-14-6-9-18-16(14)15/h3-5,18H,6-13H2,1-2H3.
What are the key properties of 7-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]-2,3-dihydro-1H-indole?
7-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]-2,3-dihydro-1H-indole has a molecular weight of 274.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 120849963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).