1-methyl-3-(2-piperidin-4-ylethyl)indole;hydrochloride

C16H23ClN2 — CID 45259565

IUPAC1-methyl-3-(2-piperidin-4-ylethyl)indole;hydrochloride
SMILESCl.Cn1cc(CCC2CCNCC2)c2ccccc21
InChIInChI=1S/C16H22N2.ClH/c1-18-12-14(15-4-2-3-5-16(15)18)7-6-13-8-10-17-11-9-13;/h2-5,12-13,17H,6-11H2,1H3;1H
InChIKeyGVMXNGBYWPGZDK-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.53
Rot. Bonds3

About 1-methyl-3-(2-piperidin-4-ylethyl)indole;hydrochloride

1-methyl-3-(2-piperidin-4-ylethyl)indole;hydrochloride (PubChem CID 45259565) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 1-methyl-3-(2-piperidin-4-ylethyl)indole;hydrochloride.

Molecular Properties

Compound Name1-methyl-3-(2-piperidin-4-ylethyl)indole;hydrochloride
PubChem CID45259565
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name1-methyl-3-(2-piperidin-4-ylethyl)indole;hydrochloride
SMILESCl.Cn1cc(CCC2CCNCC2)c2ccccc21
InChIInChI=1S/C16H22N2.ClH/c1-18-12-14(15-4-2-3-5-16(15)18)7-6-13-8-10-17-11-9-13;/h2-5,12-13,17H,6-11H2,1H3;1H
InChIKeyGVMXNGBYWPGZDK-UHFFFAOYSA-N
XLogP3.53
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-piperidin-4-ylethyl)indole;hydrochloride?
The IUPAC name of 1-methyl-3-(2-piperidin-4-ylethyl)indole;hydrochloride (CID 45259565) is 1-methyl-3-(2-piperidin-4-ylethyl)indole;hydrochloride.
What is the SMILES notation for 1-methyl-3-(2-piperidin-4-ylethyl)indole;hydrochloride?
The canonical SMILES for 1-methyl-3-(2-piperidin-4-ylethyl)indole;hydrochloride is Cl.Cn1cc(CCC2CCNCC2)c2ccccc21.
What is the InChIKey of 1-methyl-3-(2-piperidin-4-ylethyl)indole;hydrochloride?
The InChIKey is GVMXNGBYWPGZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2.ClH/c1-18-12-14(15-4-2-3-5-16(15)18)7-6-13-8-10-17-11-9-13;/h2-5,12-13,17H,6-11H2,1H3;1H.
What are the key properties of 1-methyl-3-(2-piperidin-4-ylethyl)indole;hydrochloride?
1-methyl-3-(2-piperidin-4-ylethyl)indole;hydrochloride has a molecular weight of 278.83 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-piperidin-4-ylethyl)indole;hydrochloride is sourced from PubChem (CID 45259565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).