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

C16H25ClN2S — CID 64876915

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine
SMILESCCCC1CNC(C)(C2CC2)CN1Cc1ccc(Cl)s1
InChIInChI=1S/C16H25ClN2S/c1-3-4-13-9-18-16(2,12-5-6-12)11-19(13)10-14-7-8-15(17)20-14/h7-8,12-13,18H,3-6,9-11H2,1-2H3
InChIKeyHEJYAUIXYCSBOV-UHFFFAOYSA-N
MW312.91 g/mol
LogP4.14
Rot. Bonds5

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

1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine (PubChem CID 64876915) has the molecular formula C16H25ClN2S and a molecular weight of 312.91 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine
PubChem CID64876915
Molecular FormulaC16H25ClN2S
Molecular Weight312.91 g/mol
Exact Mass312.14
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine
SMILESCCCC1CNC(C)(C2CC2)CN1Cc1ccc(Cl)s1
InChIInChI=1S/C16H25ClN2S/c1-3-4-13-9-18-16(2,12-5-6-12)11-19(13)10-14-7-8-15(17)20-14/h7-8,12-13,18H,3-6,9-11H2,1-2H3
InChIKeyHEJYAUIXYCSBOV-UHFFFAOYSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.91
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-cyclopropyl-5-methyl-2-propylpiperazin-1-yl)methyl]pyrimidine
CID 64876536
1-[(5-chlorothiophen-2-yl)methyl]-2-methyl-5-propylpiperazine
CID 64846938
1-[(5-bromo-3-pyridinyl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine
CID 104812552
1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methyl-2-propylpiperazine
CID 114188949
2-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-5,5-dimethylpiperazine
CID 64838162
1-[(5-chlorothiophen-2-yl)methyl]-3,3-diethyl-7-methyl-1,4-diazepane
CID 64871838
1-[(5-chlorothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine
CID 64859591
1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-2-methyl-5-(2-methylpropyl)piperazine
CID 64847233
5-cyclopropyl-5-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-2-propylpiperazine
CID 64876913
2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine
CID 64840265
1-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 64841778
1-[(4-bromophenyl)methyl]-5,5-dimethyl-2-propylpiperazine
CID 64839101

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine (CID 64876915) is 1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine is CCCC1CNC(C)(C2CC2)CN1Cc1ccc(Cl)s1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine?
The InChIKey is HEJYAUIXYCSBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2S/c1-3-4-13-9-18-16(2,12-5-6-12)11-19(13)10-14-7-8-15(17)20-14/h7-8,12-13,18H,3-6,9-11H2,1-2H3.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine?
1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine has a molecular weight of 312.91 g/mol, XLogP of 4.14, 5 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]-5-cyclopropyl-5-methyl-2-propylpiperazine is sourced from PubChem (CID 64876915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).