1-[cyclopropyl(thiophen-2-yl)methyl]-3-methylpiperazine

C13H20N2S — CID 65417458

IUPAC1-[cyclopropyl(thiophen-2-yl)methyl]-3-methylpiperazine
SMILESCC1CN(C(c2cccs2)C2CC2)CCN1
InChIInChI=1S/C13H20N2S/c1-10-9-15(7-6-14-10)13(11-4-5-11)12-3-2-8-16-12/h2-3,8,10-11,13-14H,4-7,9H2,1H3
InChIKeyBCOFFOJLLGJFPR-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.49
Rot. Bonds3

About 1-[cyclopropyl(thiophen-2-yl)methyl]-3-methylpiperazine

1-[cyclopropyl(thiophen-2-yl)methyl]-3-methylpiperazine (PubChem CID 65417458) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-[cyclopropyl(thiophen-2-yl)methyl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[cyclopropyl(thiophen-2-yl)methyl]-3-methylpiperazine
PubChem CID65417458
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name1-[cyclopropyl(thiophen-2-yl)methyl]-3-methylpiperazine
SMILESCC1CN(C(c2cccs2)C2CC2)CCN1
InChIInChI=1S/C13H20N2S/c1-10-9-15(7-6-14-10)13(11-4-5-11)12-3-2-8-16-12/h2-3,8,10-11,13-14H,4-7,9H2,1H3
InChIKeyBCOFFOJLLGJFPR-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(thiophen-2-yl)methyl]-3-methylpiperazine?
The IUPAC name of 1-[cyclopropyl(thiophen-2-yl)methyl]-3-methylpiperazine (CID 65417458) is 1-[cyclopropyl(thiophen-2-yl)methyl]-3-methylpiperazine.
What is the SMILES notation for 1-[cyclopropyl(thiophen-2-yl)methyl]-3-methylpiperazine?
The canonical SMILES for 1-[cyclopropyl(thiophen-2-yl)methyl]-3-methylpiperazine is CC1CN(C(c2cccs2)C2CC2)CCN1.
What is the InChIKey of 1-[cyclopropyl(thiophen-2-yl)methyl]-3-methylpiperazine?
The InChIKey is BCOFFOJLLGJFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-10-9-15(7-6-14-10)13(11-4-5-11)12-3-2-8-16-12/h2-3,8,10-11,13-14H,4-7,9H2,1H3.
What are the key properties of 1-[cyclopropyl(thiophen-2-yl)methyl]-3-methylpiperazine?
1-[cyclopropyl(thiophen-2-yl)methyl]-3-methylpiperazine has a molecular weight of 236.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(thiophen-2-yl)methyl]-3-methylpiperazine is sourced from PubChem (CID 65417458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).