7-(4-benzylpiperidin-1-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride

C24H32ClN3O — CID 142681075

IUPAC7-(4-benzylpiperidin-1-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride
SMILESCOCCn1c(C)c(C)c2ccnc(N3CCC(Cc4ccccc4)CC3)c21.Cl
InChIInChI=1S/C24H31N3O.ClH/c1-18-19(2)27(15-16-28-3)23-22(18)9-12-25-24(23)26-13-10-21(11-14-26)17-20-7-5-4-6-8-20;/h4-9,12,21H,10-11,13-17H2,1-3H3;1H
InChIKeyFAKBTJBLJKCHHC-UHFFFAOYSA-N
MW413.99 g/mol
LogP5.18
Rot. Bonds6

About 7-(4-benzylpiperidin-1-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride

7-(4-benzylpiperidin-1-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride (PubChem CID 142681075) has the molecular formula C24H32ClN3O and a molecular weight of 413.99 g/mol. Its IUPAC name is 7-(4-benzylpiperidin-1-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name7-(4-benzylpiperidin-1-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride
PubChem CID142681075
Molecular FormulaC24H32ClN3O
Molecular Weight413.99 g/mol
Exact Mass413.22
IUPAC Name7-(4-benzylpiperidin-1-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride
SMILESCOCCn1c(C)c(C)c2ccnc(N3CCC(Cc4ccccc4)CC3)c21.Cl
InChIInChI=1S/C24H31N3O.ClH/c1-18-19(2)27(15-16-28-3)23-22(18)9-12-25-24(23)26-13-10-21(11-14-26)17-20-7-5-4-6-8-20;/h4-9,12,21H,10-11,13-17H2,1-3H3;1H
InChIKeyFAKBTJBLJKCHHC-UHFFFAOYSA-N
XLogP5.18
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.99
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(4-benzylpiperidin-1-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(4-benzylpiperidin-1-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride?
The IUPAC name of 7-(4-benzylpiperidin-1-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride (CID 142681075) is 7-(4-benzylpiperidin-1-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 7-(4-benzylpiperidin-1-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 7-(4-benzylpiperidin-1-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride is COCCn1c(C)c(C)c2ccnc(N3CCC(Cc4ccccc4)CC3)c21.Cl.
What is the InChIKey of 7-(4-benzylpiperidin-1-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride?
The InChIKey is FAKBTJBLJKCHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O.ClH/c1-18-19(2)27(15-16-28-3)23-22(18)9-12-25-24(23)26-13-10-21(11-14-26)17-20-7-5-4-6-8-20;/h4-9,12,21H,10-11,13-17H2,1-3H3;1H.
What are the key properties of 7-(4-benzylpiperidin-1-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride?
7-(4-benzylpiperidin-1-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride has a molecular weight of 413.99 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-benzylpiperidin-1-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 142681075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).