7-(5-azaspiro[2.5]octan-5-ylmethyl)-2,3-dihydro-1H-indole;hydrochloride

C16H23ClN2 — CID 120856919

IUPAC7-(5-azaspiro[2.5]octan-5-ylmethyl)-2,3-dihydro-1H-indole;hydrochloride
SMILESCl.c1cc2c(c(CN3CCCC4(CC4)C3)c1)NCC2
InChIInChI=1S/C16H22N2.ClH/c1-3-13-5-9-17-15(13)14(4-1)11-18-10-2-6-16(12-18)7-8-16;/h1,3-4,17H,2,5-12H2;1H
InChIKeyUTYQKQQLNIBRFA-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.45
Rot. Bonds2

About 7-(5-azaspiro[2.5]octan-5-ylmethyl)-2,3-dihydro-1H-indole;hydrochloride

7-(5-azaspiro[2.5]octan-5-ylmethyl)-2,3-dihydro-1H-indole;hydrochloride (PubChem CID 120856919) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 7-(5-azaspiro[2.5]octan-5-ylmethyl)-2,3-dihydro-1H-indole;hydrochloride.

Molecular Properties

Compound Name7-(5-azaspiro[2.5]octan-5-ylmethyl)-2,3-dihydro-1H-indole;hydrochloride
PubChem CID120856919
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name7-(5-azaspiro[2.5]octan-5-ylmethyl)-2,3-dihydro-1H-indole;hydrochloride
SMILESCl.c1cc2c(c(CN3CCCC4(CC4)C3)c1)NCC2
InChIInChI=1S/C16H22N2.ClH/c1-3-13-5-9-17-15(13)14(4-1)11-18-10-2-6-16(12-18)7-8-16;/h1,3-4,17H,2,5-12H2;1H
InChIKeyUTYQKQQLNIBRFA-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(2,3-dihydro-1H-indol-7-ylmethyl)-5-oxa-8-azaspiro[2.6]nonane
CID 120855876
7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277962
1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride
CID 120849941
4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2-dimethylmorpholine
CID 113277982
7-[(7-methyl-6-azaspiro[3.4]octan-6-yl)methyl]-2,3-dihydro-1H-indole;hydrochloride
CID 120857977
7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327111
7-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 120849963
8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 82510182
7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 114327215
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

Frequently Asked Questions

What is the IUPAC name of 7-(5-azaspiro[2.5]octan-5-ylmethyl)-2,3-dihydro-1H-indole;hydrochloride?
The IUPAC name of 7-(5-azaspiro[2.5]octan-5-ylmethyl)-2,3-dihydro-1H-indole;hydrochloride (CID 120856919) is 7-(5-azaspiro[2.5]octan-5-ylmethyl)-2,3-dihydro-1H-indole;hydrochloride.
What is the SMILES notation for 7-(5-azaspiro[2.5]octan-5-ylmethyl)-2,3-dihydro-1H-indole;hydrochloride?
The canonical SMILES for 7-(5-azaspiro[2.5]octan-5-ylmethyl)-2,3-dihydro-1H-indole;hydrochloride is Cl.c1cc2c(c(CN3CCCC4(CC4)C3)c1)NCC2.
What is the InChIKey of 7-(5-azaspiro[2.5]octan-5-ylmethyl)-2,3-dihydro-1H-indole;hydrochloride?
The InChIKey is UTYQKQQLNIBRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2.ClH/c1-3-13-5-9-17-15(13)14(4-1)11-18-10-2-6-16(12-18)7-8-16;/h1,3-4,17H,2,5-12H2;1H.
What are the key properties of 7-(5-azaspiro[2.5]octan-5-ylmethyl)-2,3-dihydro-1H-indole;hydrochloride?
7-(5-azaspiro[2.5]octan-5-ylmethyl)-2,3-dihydro-1H-indole;hydrochloride has a molecular weight of 278.83 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-azaspiro[2.5]octan-5-ylmethyl)-2,3-dihydro-1H-indole;hydrochloride is sourced from PubChem (CID 120856919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).