1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N,4-dimethylpiperidin-4-amine

C16H24N2 — CID 113283076

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(CC2Cc3ccccc32)CC1
InChIInChI=1S/C16H24N2/c1-16(17-2)7-9-18(10-8-16)12-14-11-13-5-3-4-6-15(13)14/h3-6,14,17H,7-12H2,1-2H3
InChIKeyQWNKQNLBCLSWNG-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.40
Rot. Bonds3

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N,4-dimethylpiperidin-4-amine

1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N,4-dimethylpiperidin-4-amine (PubChem CID 113283076) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N,4-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N,4-dimethylpiperidin-4-amine
PubChem CID113283076
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(CC2Cc3ccccc32)CC1
InChIInChI=1S/C16H24N2/c1-16(17-2)7-9-18(10-8-16)12-14-11-13-5-3-4-6-15(13)14/h3-6,14,17H,7-12H2,1-2H3
InChIKeyQWNKQNLBCLSWNG-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]ethanamine
CID 66417765
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-(1-chloroethyl)piperidine
CID 106838163
N,4-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-amine
CID 115303980
1-(2,3-dihydro-1H-inden-1-yl)-N,4-dimethylpiperidin-4-amine
CID 113282872
2-[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 66419674
(3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-ol
CID 66394300
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-propan-2-ylpyrrolidin-3-amine
CID 66407796
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpyrrolidine-2-carboxylic acid
CID 66419546
N-[[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 66409309
4-[(4,4-dimethylazepan-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65282926
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-4-carboximidamide
CID 66419716
5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66418763

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N,4-dimethylpiperidin-4-amine?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N,4-dimethylpiperidin-4-amine (CID 113283076) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N,4-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N,4-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N,4-dimethylpiperidin-4-amine is CNC1(C)CCN(CC2Cc3ccccc32)CC1.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N,4-dimethylpiperidin-4-amine?
The InChIKey is QWNKQNLBCLSWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-16(17-2)7-9-18(10-8-16)12-14-11-13-5-3-4-6-15(13)14/h3-6,14,17H,7-12H2,1-2H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N,4-dimethylpiperidin-4-amine?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N,4-dimethylpiperidin-4-amine has a molecular weight of 244.38 g/mol, XLogP of 2.40, 3 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-1,3,5-trienylmethyl)-N,4-dimethylpiperidin-4-amine is sourced from PubChem (CID 113283076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).