3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine

C14H22N2O — CID 64952174

IUPAC3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine
SMILESCc1ccc(CN2CCNC(C)(C3CC3)C2)o1
InChIInChI=1S/C14H22N2O/c1-11-3-6-13(17-11)9-16-8-7-15-14(2,10-16)12-4-5-12/h3,6,12,15H,4-5,7-10H2,1-2H3
InChIKeyAXSKROAVASZXEK-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.16
Rot. Bonds3

About 3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine

3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine (PubChem CID 64952174) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine
PubChem CID64952174
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine
SMILESCc1ccc(CN2CCNC(C)(C3CC3)C2)o1
InChIInChI=1S/C14H22N2O/c1-11-3-6-13(17-11)9-16-8-7-15-14(2,10-16)12-4-5-12/h3,6,12,15H,4-5,7-10H2,1-2H3
InChIKeyAXSKROAVASZXEK-UHFFFAOYSA-N
XLogP2.16
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
CID 64925154
3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-3-methylpiperazine
CID 105409901
1-[(2-bromo-5-methoxyphenyl)methyl]-3-cyclopropyl-3-methylpiperazine
CID 65325766
3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpiperazine
CID 64832099
2-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline
CID 64834096
1-[(2-bromophenyl)methyl]-3-cyclopropyl-3-methyl-1,4-diazepane
CID 64872279
3-ethyl-1-[(5-methylfuran-2-yl)methyl]piperazine
CID 64952375
(5S)-2,9-bis[(5-methylfuran-2-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 97482941
3-cyclopropyl-3-methyl-1-(2-methylphenyl)piperazine
CID 64926213
3-cyclopropyl-3-methyl-1-(oxan-4-ylmethyl)piperazine
CID 64832698
1-(4-bromo-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine
CID 64924297
3-cyclopropyl-3-methyl-1-(pyrimidin-2-ylmethyl)-1,4-diazepane
CID 64871682

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine?
The IUPAC name of 3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine (CID 64952174) is 3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine.
What is the SMILES notation for 3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine?
The canonical SMILES for 3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine is Cc1ccc(CN2CCNC(C)(C3CC3)C2)o1.
What is the InChIKey of 3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine?
The InChIKey is AXSKROAVASZXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-3-6-13(17-11)9-16-8-7-15-14(2,10-16)12-4-5-12/h3,6,12,15H,4-5,7-10H2,1-2H3.
What are the key properties of 3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine?
3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine has a molecular weight of 234.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine is sourced from PubChem (CID 64952174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).