2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]ethanamine

C16H24N2 — CID 66417765

IUPAC2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]ethanamine
SMILESNCCC1CCN(CC2Cc3ccccc32)CC1
InChIInChI=1S/C16H24N2/c17-8-5-13-6-9-18(10-7-13)12-15-11-14-3-1-2-4-16(14)15/h1-4,13,15H,5-12,17H2
InChIKeyLIRSTQFTVULMOL-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.39
Rot. Bonds4

About 2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]ethanamine

2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]ethanamine (PubChem CID 66417765) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]ethanamine
PubChem CID66417765
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]ethanamine
SMILESNCCC1CCN(CC2Cc3ccccc32)CC1
InChIInChI=1S/C16H24N2/c17-8-5-13-6-9-18(10-7-13)12-15-11-14-3-1-2-4-16(14)15/h1-4,13,15H,5-12,17H2
InChIKeyLIRSTQFTVULMOL-UHFFFAOYSA-N
XLogP2.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]ethanamine (CID 66417765) is 2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]ethanamine is NCCC1CCN(CC2Cc3ccccc32)CC1.
What is the InChIKey of 2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]ethanamine?
The InChIKey is LIRSTQFTVULMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c17-8-5-13-6-9-18(10-7-13)12-15-11-14-3-1-2-4-16(14)15/h1-4,13,15H,5-12,17H2.
What are the key properties of 2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]ethanamine?
2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]ethanamine has a molecular weight of 244.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 66417765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).