1-[(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethyl]piperazine

C15H16Cl2N2S — CID 171288405

IUPAC1-[(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethyl]piperazine
SMILESClc1cc(Cl)cc([C@@H](c2cccs2)N2CCNCC2)c1
InChIInChI=1S/C15H16Cl2N2S/c16-12-8-11(9-13(17)10-12)15(14-2-1-7-20-14)19-5-3-18-4-6-19/h1-2,7-10,15,18H,3-6H2/t15-/m0/s1
InChIKeyMIKMEPDQRQADNT-HNNXBMFYSA-N
MW327.28 g/mol
LogP4.05
Rot. Bonds3

About 1-[(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethyl]piperazine

1-[(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethyl]piperazine (PubChem CID 171288405) has the molecular formula C15H16Cl2N2S and a molecular weight of 327.28 g/mol. Its IUPAC name is 1-[(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethyl]piperazine
PubChem CID171288405
Molecular FormulaC15H16Cl2N2S
Molecular Weight327.28 g/mol
Exact Mass326.04
IUPAC Name1-[(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethyl]piperazine
SMILESClc1cc(Cl)cc([C@@H](c2cccs2)N2CCNCC2)c1
InChIInChI=1S/C15H16Cl2N2S/c16-12-8-11(9-13(17)10-12)15(14-2-1-7-20-14)19-5-3-18-4-6-19/h1-2,7-10,15,18H,3-6H2/t15-/m0/s1
InChIKeyMIKMEPDQRQADNT-HNNXBMFYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281575
1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 5096887
5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,3-diol;dihydrochloride
CID 171273859
1-[(S)-[3,5-bis(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine
CID 171174966
2,6-dibromo-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171286564
2,4-dichloro-6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171272195
1-[(R)-(4-iodophenyl)-thiophen-2-ylmethyl]piperazine
CID 171276045
1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 92754603
1-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 92754518
1-[(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 3614145
2,6-ditert-butyl-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171284901
1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride
CID 171280742

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethyl]piperazine?
The IUPAC name of 1-[(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethyl]piperazine (CID 171288405) is 1-[(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethyl]piperazine.
What is the SMILES notation for 1-[(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethyl]piperazine?
The canonical SMILES for 1-[(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethyl]piperazine is Clc1cc(Cl)cc([C@@H](c2cccs2)N2CCNCC2)c1.
What is the InChIKey of 1-[(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethyl]piperazine?
The InChIKey is MIKMEPDQRQADNT-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16Cl2N2S/c16-12-8-11(9-13(17)10-12)15(14-2-1-7-20-14)19-5-3-18-4-6-19/h1-2,7-10,15,18H,3-6H2/t15-/m0/s1.
What are the key properties of 1-[(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethyl]piperazine?
1-[(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethyl]piperazine has a molecular weight of 327.28 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethyl]piperazine is sourced from PubChem (CID 171288405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).