2-[4-[3-chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine

C23H28ClN3O — CID 58730915

IUPAC2-[4-[3-chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2ccc3[nH]c(-c4ccccc4OC)c(Cl)c3c2)CC1
InChIInChI=1S/C23H28ClN3O/c1-25-11-14-27-12-9-16(10-13-27)17-7-8-20-19(15-17)22(24)23(26-20)18-5-3-4-6-21(18)28-2/h3-8,15-16,25-26H,9-14H2,1-2H3
InChIKeySEJLXUYMIRXRMJ-UHFFFAOYSA-N
MW397.95 g/mol
LogP4.90
Rot. Bonds6

About 2-[4-[3-chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine

2-[4-[3-chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine (PubChem CID 58730915) has the molecular formula C23H28ClN3O and a molecular weight of 397.95 g/mol. Its IUPAC name is 2-[4-[3-chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[3-chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
PubChem CID58730915
Molecular FormulaC23H28ClN3O
Molecular Weight397.95 g/mol
Exact Mass397.19
IUPAC Name2-[4-[3-chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2ccc3[nH]c(-c4ccccc4OC)c(Cl)c3c2)CC1
InChIInChI=1S/C23H28ClN3O/c1-25-11-14-27-12-9-16(10-13-27)17-7-8-20-19(15-17)22(24)23(26-20)18-5-3-4-6-21(18)28-2/h3-8,15-16,25-26H,9-14H2,1-2H3
InChIKeySEJLXUYMIRXRMJ-UHFFFAOYSA-N
XLogP4.90
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
The IUPAC name of 2-[4-[3-chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine (CID 58730915) is 2-[4-[3-chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[3-chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-[3-chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine is CNCCN1CCC(c2ccc3[nH]c(-c4ccccc4OC)c(Cl)c3c2)CC1.
What is the InChIKey of 2-[4-[3-chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
The InChIKey is SEJLXUYMIRXRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O/c1-25-11-14-27-12-9-16(10-13-27)17-7-8-20-19(15-17)22(24)23(26-20)18-5-3-4-6-21(18)28-2/h3-8,15-16,25-26H,9-14H2,1-2H3.
What are the key properties of 2-[4-[3-chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
2-[4-[3-chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine has a molecular weight of 397.95 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine is sourced from PubChem (CID 58730915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).