1-chloro-2-methyl-3-(piperazin-1-ylmethyl)indolizine

C14H18ClN3 — CID 116993762

IUPAC1-chloro-2-methyl-3-(piperazin-1-ylmethyl)indolizine
SMILESCc1c(Cl)c2ccccn2c1CN1CCNCC1
InChIInChI=1S/C14H18ClN3/c1-11-13(10-17-8-5-16-6-9-17)18-7-3-2-4-12(18)14(11)15/h2-4,7,16H,5-6,8-10H2,1H3
InChIKeyMTERYMKWWGAJNY-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.31
Rot. Bonds2

About 1-chloro-2-methyl-3-(piperazin-1-ylmethyl)indolizine

1-chloro-2-methyl-3-(piperazin-1-ylmethyl)indolizine (PubChem CID 116993762) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-chloro-2-methyl-3-(piperazin-1-ylmethyl)indolizine.

Molecular Properties

Compound Name1-chloro-2-methyl-3-(piperazin-1-ylmethyl)indolizine
PubChem CID116993762
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name1-chloro-2-methyl-3-(piperazin-1-ylmethyl)indolizine
SMILESCc1c(Cl)c2ccccn2c1CN1CCNCC1
InChIInChI=1S/C14H18ClN3/c1-11-13(10-17-8-5-16-6-9-17)18-7-3-2-4-12(18)14(11)15/h2-4,7,16H,5-6,8-10H2,1H3
InChIKeyMTERYMKWWGAJNY-UHFFFAOYSA-N
XLogP2.31
TPSA19.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-2-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 82529387
1-[(2,6-dichlorophenyl)methyl]piperazine
CID 770796
2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2760437
azane;1-benzylpiperazine
CID 174866973
3-cyclopropyl-1-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine
CID 82299707
2-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 82510170
2-methyl-3-(2-piperazin-1-ylethyl)indolizine
CID 116993644
3-chloro-4-methyl-2-(piperazin-1-ylmethyl)phenol
CID 84800713
6-methyl-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole
CID 38996171
7-chloro-3-(1,4-diazepan-1-ylmethyl)-2-methylimidazo[1,2-a]pyridine
CID 82343266
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
3-chloro-6-methyl-2-(piperazin-1-ylmethyl)aniline
CID 82511287

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-3-(piperazin-1-ylmethyl)indolizine?
The IUPAC name of 1-chloro-2-methyl-3-(piperazin-1-ylmethyl)indolizine (CID 116993762) is 1-chloro-2-methyl-3-(piperazin-1-ylmethyl)indolizine.
What is the SMILES notation for 1-chloro-2-methyl-3-(piperazin-1-ylmethyl)indolizine?
The canonical SMILES for 1-chloro-2-methyl-3-(piperazin-1-ylmethyl)indolizine is Cc1c(Cl)c2ccccn2c1CN1CCNCC1.
What is the InChIKey of 1-chloro-2-methyl-3-(piperazin-1-ylmethyl)indolizine?
The InChIKey is MTERYMKWWGAJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-11-13(10-17-8-5-16-6-9-17)18-7-3-2-4-12(18)14(11)15/h2-4,7,16H,5-6,8-10H2,1H3.
What are the key properties of 1-chloro-2-methyl-3-(piperazin-1-ylmethyl)indolizine?
1-chloro-2-methyl-3-(piperazin-1-ylmethyl)indolizine has a molecular weight of 263.77 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-3-(piperazin-1-ylmethyl)indolizine is sourced from PubChem (CID 116993762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).