2-(3-chlorophenyl)-1-(thiolan-3-ylmethyl)piperazine

C15H21ClN2S — CID 120846887

IUPAC2-(3-chlorophenyl)-1-(thiolan-3-ylmethyl)piperazine
SMILESClc1cccc(C2CNCCN2CC2CCSC2)c1
InChIInChI=1S/C15H21ClN2S/c16-14-3-1-2-13(8-14)15-9-17-5-6-18(15)10-12-4-7-19-11-12/h1-3,8,12,15,17H,4-7,9-11H2
InChIKeyAAZBSUNZWQFYBA-UHFFFAOYSA-N
MW296.87 g/mol
LogP3.04
Rot. Bonds3

About 2-(3-chlorophenyl)-1-(thiolan-3-ylmethyl)piperazine

2-(3-chlorophenyl)-1-(thiolan-3-ylmethyl)piperazine (PubChem CID 120846887) has the molecular formula C15H21ClN2S and a molecular weight of 296.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(thiolan-3-ylmethyl)piperazine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(thiolan-3-ylmethyl)piperazine
PubChem CID120846887
Molecular FormulaC15H21ClN2S
Molecular Weight296.87 g/mol
Exact Mass296.11
IUPAC Name2-(3-chlorophenyl)-1-(thiolan-3-ylmethyl)piperazine
SMILESClc1cccc(C2CNCCN2CC2CCSC2)c1
InChIInChI=1S/C15H21ClN2S/c16-14-3-1-2-13(8-14)15-9-17-5-6-18(15)10-12-4-7-19-11-12/h1-3,8,12,15,17H,4-7,9-11H2
InChIKeyAAZBSUNZWQFYBA-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.87
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-prop-2-enylpiperazine
CID 120770958
1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768681
1-but-3-enyl-2-(3-chlorophenyl)piperazine;hydrochloride
CID 120771105
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 120780257
[2-(3-chlorophenyl)piperazin-1-yl]-(1,4-dithian-2-yl)methanone;hydrochloride
CID 120803118
2-(3-chlorophenyl)-1-[2-(oxolan-3-yl)ethyl]piperazine;hydrochloride
CID 120846874
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120780112
1-(cyclopentylmethyl)-2-phenylpiperazine
CID 64832948
1-(cyclobutylmethyl)-2-phenylpiperazine
CID 64936519
2-[2-(3-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 120770819
2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120780214
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 120780059

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(thiolan-3-ylmethyl)piperazine?
The IUPAC name of 2-(3-chlorophenyl)-1-(thiolan-3-ylmethyl)piperazine (CID 120846887) is 2-(3-chlorophenyl)-1-(thiolan-3-ylmethyl)piperazine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(thiolan-3-ylmethyl)piperazine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(thiolan-3-ylmethyl)piperazine is Clc1cccc(C2CNCCN2CC2CCSC2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(thiolan-3-ylmethyl)piperazine?
The InChIKey is AAZBSUNZWQFYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2S/c16-14-3-1-2-13(8-14)15-9-17-5-6-18(15)10-12-4-7-19-11-12/h1-3,8,12,15,17H,4-7,9-11H2.
What are the key properties of 2-(3-chlorophenyl)-1-(thiolan-3-ylmethyl)piperazine?
2-(3-chlorophenyl)-1-(thiolan-3-ylmethyl)piperazine has a molecular weight of 296.87 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(thiolan-3-ylmethyl)piperazine is sourced from PubChem (CID 120846887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).