1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]-N-methylethanamine

C14H25N3 — CID 71085686

IUPAC1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]-N-methylethanamine
SMILESCNC(C)N1CCN(CC2=CCCC=C2)CC1
InChIInChI=1S/C14H25N3/c1-13(15-2)17-10-8-16(9-11-17)12-14-6-4-3-5-7-14/h4,6-7,13,15H,3,5,8-12H2,1-2H3
InChIKeyOIKNZSWYABFAAL-UHFFFAOYSA-N
MW235.38 g/mol
LogP1.45
Rot. Bonds4

About 1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]-N-methylethanamine

1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]-N-methylethanamine (PubChem CID 71085686) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]-N-methylethanamine
PubChem CID71085686
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]-N-methylethanamine
SMILESCNC(C)N1CCN(CC2=CCCC=C2)CC1
InChIInChI=1S/C14H25N3/c1-13(15-2)17-10-8-16(9-11-17)12-14-6-4-3-5-7-14/h4,6-7,13,15H,3,5,8-12H2,1-2H3
InChIKeyOIKNZSWYABFAAL-UHFFFAOYSA-N
XLogP1.45
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]-N-methylethanamine?
The IUPAC name of 1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]-N-methylethanamine (CID 71085686) is 1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]-N-methylethanamine?
The canonical SMILES for 1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]-N-methylethanamine is CNC(C)N1CCN(CC2=CCCC=C2)CC1.
What is the InChIKey of 1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]-N-methylethanamine?
The InChIKey is OIKNZSWYABFAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-13(15-2)17-10-8-16(9-11-17)12-14-6-4-3-5-7-14/h4,6-7,13,15H,3,5,8-12H2,1-2H3.
What are the key properties of 1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]-N-methylethanamine?
1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]-N-methylethanamine has a molecular weight of 235.38 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]-N-methylethanamine is sourced from PubChem (CID 71085686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).