1-[(5-chlorothiophen-2-yl)methyl]-2-methyl-5-propylpiperazine

C13H21ClN2S — CID 64846938

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-2-methyl-5-propylpiperazine
SMILESCCCC1CN(Cc2ccc(Cl)s2)C(C)CN1
InChIInChI=1S/C13H21ClN2S/c1-3-4-11-8-16(10(2)7-15-11)9-12-5-6-13(14)17-12/h5-6,10-11,15H,3-4,7-9H2,1-2H3
InChIKeyVFTOVABSVIJPDC-UHFFFAOYSA-N
MW272.84 g/mol
LogP3.36
Rot. Bonds4

About 1-[(5-chlorothiophen-2-yl)methyl]-2-methyl-5-propylpiperazine

1-[(5-chlorothiophen-2-yl)methyl]-2-methyl-5-propylpiperazine (PubChem CID 64846938) has the molecular formula C13H21ClN2S and a molecular weight of 272.84 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-2-methyl-5-propylpiperazine.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-2-methyl-5-propylpiperazine
PubChem CID64846938
Molecular FormulaC13H21ClN2S
Molecular Weight272.84 g/mol
Exact Mass272.11
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-2-methyl-5-propylpiperazine
SMILESCCCC1CN(Cc2ccc(Cl)s2)C(C)CN1
InChIInChI=1S/C13H21ClN2S/c1-3-4-11-8-16(10(2)7-15-11)9-12-5-6-13(14)17-12/h5-6,10-11,15H,3-4,7-9H2,1-2H3
InChIKeyVFTOVABSVIJPDC-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.84
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-5-propylpiperazine
CID 106043841
1-[(2,5-dichlorophenyl)methyl]-2-methyl-5-propylpiperazine
CID 65317892
1-[(5-chlorothiophen-2-yl)methyl]-3,7-dimethyl-1,4-diazepane
CID 64870175
1-[(5-chloro-2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
CID 64846366
1-[(2-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
CID 64846377
2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-5-propylpiperazine
CID 64947937
7-methyl-3-propyl-1-(thiophen-2-ylmethyl)-1,4-diazepane
CID 64870012
1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine
CID 64876915
1-[(5-bromo-2-pyridinyl)methyl]-2-methyl-5-propylpiperazine
CID 104812364
1-(2-ethylbutyl)-2-methyl-5-propylpiperazine
CID 82923566
1-(2-fluoroethyl)-2-methyl-5-propylpiperazine
CID 80697266
5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2-ethylpiperazine
CID 64850155

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-2-methyl-5-propylpiperazine?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-2-methyl-5-propylpiperazine (CID 64846938) is 1-[(5-chlorothiophen-2-yl)methyl]-2-methyl-5-propylpiperazine.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-2-methyl-5-propylpiperazine?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-2-methyl-5-propylpiperazine is CCCC1CN(Cc2ccc(Cl)s2)C(C)CN1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-2-methyl-5-propylpiperazine?
The InChIKey is VFTOVABSVIJPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2S/c1-3-4-11-8-16(10(2)7-15-11)9-12-5-6-13(14)17-12/h5-6,10-11,15H,3-4,7-9H2,1-2H3.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-2-methyl-5-propylpiperazine?
1-[(5-chlorothiophen-2-yl)methyl]-2-methyl-5-propylpiperazine has a molecular weight of 272.84 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-2-methyl-5-propylpiperazine is sourced from PubChem (CID 64846938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).