1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)-N-methylpiperidin-4-amine

C14H18N2 — CID 19761289

IUPAC1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(C2=c3ccccc3=C2)CC1
InChIInChI=1S/C14H18N2/c1-15-12-6-8-16(9-7-12)14-10-11-4-2-3-5-13(11)14/h2-5,10,12,15H,6-9H2,1H3
InChIKeyKZFPWUQFUTXLOP-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.27
Rot. Bonds2

About 1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)-N-methylpiperidin-4-amine

1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)-N-methylpiperidin-4-amine (PubChem CID 19761289) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)-N-methylpiperidin-4-amine
PubChem CID19761289
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(C2=c3ccccc3=C2)CC1
InChIInChI=1S/C14H18N2/c1-15-12-6-8-16(9-7-12)14-10-11-4-2-3-5-13(11)14/h2-5,10,12,15H,6-9H2,1H3
InChIKeyKZFPWUQFUTXLOP-UHFFFAOYSA-N
XLogP0.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)-N-methylpiperidin-4-amine?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)-N-methylpiperidin-4-amine (CID 19761289) is 1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)-N-methylpiperidin-4-amine is CNC1CCN(C2=c3ccccc3=C2)CC1.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)-N-methylpiperidin-4-amine?
The InChIKey is KZFPWUQFUTXLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-15-12-6-8-16(9-7-12)14-10-11-4-2-3-5-13(11)14/h2-5,10,12,15H,6-9H2,1H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)-N-methylpiperidin-4-amine?
1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)-N-methylpiperidin-4-amine has a molecular weight of 214.31 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 19761289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).