1-[(3-chlorothiophen-2-yl)methyl]piperazine;hydrochloride

C9H14Cl2N2S — CID 120833625

IUPAC1-[(3-chlorothiophen-2-yl)methyl]piperazine;hydrochloride
SMILESCl.Clc1ccsc1CN1CCNCC1
InChIInChI=1S/C9H13ClN2S.ClH/c10-8-1-6-13-9(8)7-12-4-2-11-3-5-12;/h1,6,11H,2-5,7H2;1H
InChIKeyGHPAIGOWXQRHHV-UHFFFAOYSA-N
MW253.20 g/mol
LogP2.23
Rot. Bonds2

About 1-[(3-chlorothiophen-2-yl)methyl]piperazine;hydrochloride

1-[(3-chlorothiophen-2-yl)methyl]piperazine;hydrochloride (PubChem CID 120833625) has the molecular formula C9H14Cl2N2S and a molecular weight of 253.20 g/mol. Its IUPAC name is 1-[(3-chlorothiophen-2-yl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(3-chlorothiophen-2-yl)methyl]piperazine;hydrochloride
PubChem CID120833625
Molecular FormulaC9H14Cl2N2S
Molecular Weight253.20 g/mol
Exact Mass252.03
IUPAC Name1-[(3-chlorothiophen-2-yl)methyl]piperazine;hydrochloride
SMILESCl.Clc1ccsc1CN1CCNCC1
InChIInChI=1S/C9H13ClN2S.ClH/c10-8-1-6-13-9(8)7-12-4-2-11-3-5-12;/h1,6,11H,2-5,7H2;1H
InChIKeyGHPAIGOWXQRHHV-UHFFFAOYSA-N
XLogP2.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorothiophen-2-yl)methyl]-2-methylpiperazine;hydrochloride
CID 120837048
4-bromo-1-[(3-chlorothiophen-2-yl)methyl]azepane
CID 131067632
1-[(3-chlorothiophen-2-yl)methyl]pyrrolidin-3-ol
CID 130511552
5-(3-chlorothiophen-2-yl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 80641181
(3aS,6aS)-1-[(3-chlorothiophen-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;dihydrochloride
CID 154905300
[1-[(3-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120846944
1-[(2,6-dichlorophenyl)methyl]piperazine
CID 770796
1-(thiophen-2-ylmethyl)piperazine
CID 566208
1-[(3-chlorothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120846434
2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole;dihydrochloride
CID 71778838
1-[(4,5-dichlorothiophen-3-yl)methyl]-1,4-diazepane;hydrochloride
CID 120834380
1-(thieno[3,2-b]thiophen-5-ylmethyl)piperazine
CID 80745758

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorothiophen-2-yl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(3-chlorothiophen-2-yl)methyl]piperazine;hydrochloride (CID 120833625) is 1-[(3-chlorothiophen-2-yl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(3-chlorothiophen-2-yl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(3-chlorothiophen-2-yl)methyl]piperazine;hydrochloride is Cl.Clc1ccsc1CN1CCNCC1.
What is the InChIKey of 1-[(3-chlorothiophen-2-yl)methyl]piperazine;hydrochloride?
The InChIKey is GHPAIGOWXQRHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2S.ClH/c10-8-1-6-13-9(8)7-12-4-2-11-3-5-12;/h1,6,11H,2-5,7H2;1H.
What are the key properties of 1-[(3-chlorothiophen-2-yl)methyl]piperazine;hydrochloride?
1-[(3-chlorothiophen-2-yl)methyl]piperazine;hydrochloride has a molecular weight of 253.20 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorothiophen-2-yl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 120833625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).