5-cyclopropyl-2,2-dimethyl-1-(thiophen-3-ylmethyl)piperazine

C14H22N2S — CID 64862066

IUPAC5-cyclopropyl-2,2-dimethyl-1-(thiophen-3-ylmethyl)piperazine
SMILESCC1(C)CNC(C2CC2)CN1Cc1ccsc1
InChIInChI=1S/C14H22N2S/c1-14(2)10-15-13(12-3-4-12)8-16(14)7-11-5-6-17-9-11/h5-6,9,12-13,15H,3-4,7-8,10H2,1-2H3
InChIKeyCTHXIAORKRYRDN-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.71
Rot. Bonds3

About 5-cyclopropyl-2,2-dimethyl-1-(thiophen-3-ylmethyl)piperazine

5-cyclopropyl-2,2-dimethyl-1-(thiophen-3-ylmethyl)piperazine (PubChem CID 64862066) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 5-cyclopropyl-2,2-dimethyl-1-(thiophen-3-ylmethyl)piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2,2-dimethyl-1-(thiophen-3-ylmethyl)piperazine
PubChem CID64862066
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name5-cyclopropyl-2,2-dimethyl-1-(thiophen-3-ylmethyl)piperazine
SMILESCC1(C)CNC(C2CC2)CN1Cc1ccsc1
InChIInChI=1S/C14H22N2S/c1-14(2)10-15-13(12-3-4-12)8-16(14)7-11-5-6-17-9-11/h5-6,9,12-13,15H,3-4,7-8,10H2,1-2H3
InChIKeyCTHXIAORKRYRDN-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 64859758
1-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 64861491
1-[(4-chloro-3-fluorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 107888690
1-[(2-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 64860914
5-cyclohexyl-2,2-dimethyl-1-(thiophen-2-ylmethyl)piperazine
CID 64861167
2-cyclopropyl-5-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 64846089
5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64861102
5-ethyl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64841192
1-[(3-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 102862743
5-tert-butyl-2-cyclopropyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 64842067
2,2-dimethyl-5-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine
CID 64838670
5-cyclopropyl-2-ethyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine
CID 65491173

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2,2-dimethyl-1-(thiophen-3-ylmethyl)piperazine?
The IUPAC name of 5-cyclopropyl-2,2-dimethyl-1-(thiophen-3-ylmethyl)piperazine (CID 64862066) is 5-cyclopropyl-2,2-dimethyl-1-(thiophen-3-ylmethyl)piperazine.
What is the SMILES notation for 5-cyclopropyl-2,2-dimethyl-1-(thiophen-3-ylmethyl)piperazine?
The canonical SMILES for 5-cyclopropyl-2,2-dimethyl-1-(thiophen-3-ylmethyl)piperazine is CC1(C)CNC(C2CC2)CN1Cc1ccsc1.
What is the InChIKey of 5-cyclopropyl-2,2-dimethyl-1-(thiophen-3-ylmethyl)piperazine?
The InChIKey is CTHXIAORKRYRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-14(2)10-15-13(12-3-4-12)8-16(14)7-11-5-6-17-9-11/h5-6,9,12-13,15H,3-4,7-8,10H2,1-2H3.
What are the key properties of 5-cyclopropyl-2,2-dimethyl-1-(thiophen-3-ylmethyl)piperazine?
5-cyclopropyl-2,2-dimethyl-1-(thiophen-3-ylmethyl)piperazine has a molecular weight of 250.41 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2,2-dimethyl-1-(thiophen-3-ylmethyl)piperazine is sourced from PubChem (CID 64862066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).