1-[2-[(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)furan-2-yl]ethyl]piperazine

C15H22N2O — CID 145429961

IUPAC1-[2-[(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)furan-2-yl]ethyl]piperazine
SMILESC=C(C)/C=c1/cc(CCN2CCNCC2)oc1=C
InChIInChI=1S/C15H22N2O/c1-12(2)10-14-11-15(18-13(14)3)4-7-17-8-5-16-6-9-17/h10-11,16H,1,3-9H2,2H3/b14-10-
InChIKeyXERCHRVVHVHSJH-UVTDQMKNSA-N
MW246.35 g/mol
LogP0.49
Rot. Bonds4

About 1-[2-[(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)furan-2-yl]ethyl]piperazine

1-[2-[(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)furan-2-yl]ethyl]piperazine (PubChem CID 145429961) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[2-[(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)furan-2-yl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)furan-2-yl]ethyl]piperazine
PubChem CID145429961
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[2-[(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)furan-2-yl]ethyl]piperazine
SMILESC=C(C)/C=c1/cc(CCN2CCNCC2)oc1=C
InChIInChI=1S/C15H22N2O/c1-12(2)10-14-11-15(18-13(14)3)4-7-17-8-5-16-6-9-17/h10-11,16H,1,3-9H2,2H3/b14-10-
InChIKeyXERCHRVVHVHSJH-UVTDQMKNSA-N
XLogP0.49
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4,5-Trimethoxycyclohepta-1,4,6-trien-1-yl)methyl]piperazine
CID 134536852
1-[3-(3-Propan-2-ylidenecyclohexa-1,5-dien-1-yl)oxypropyl]piperazine
CID 141006326
1-[(3Z,5E)-5-methoxy-2-methylocta-3,5,7-trienyl]piperazine
CID 142202958

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)furan-2-yl]ethyl]piperazine?
The IUPAC name of 1-[2-[(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)furan-2-yl]ethyl]piperazine (CID 145429961) is 1-[2-[(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)furan-2-yl]ethyl]piperazine.
What is the SMILES notation for 1-[2-[(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)furan-2-yl]ethyl]piperazine?
The canonical SMILES for 1-[2-[(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)furan-2-yl]ethyl]piperazine is C=C(C)/C=c1/cc(CCN2CCNCC2)oc1=C.
What is the InChIKey of 1-[2-[(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)furan-2-yl]ethyl]piperazine?
The InChIKey is XERCHRVVHVHSJH-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12(2)10-14-11-15(18-13(14)3)4-7-17-8-5-16-6-9-17/h10-11,16H,1,3-9H2,2H3/b14-10-.
What are the key properties of 1-[2-[(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)furan-2-yl]ethyl]piperazine?
1-[2-[(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)furan-2-yl]ethyl]piperazine has a molecular weight of 246.35 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)furan-2-yl]ethyl]piperazine is sourced from PubChem (CID 145429961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).