(3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-3-amine

C14H20N2 — CID 102985398

IUPAC(3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-3-amine
SMILESN[C@@H]1CCCN(CC2Cc3ccccc32)C1
InChIInChI=1S/C14H20N2/c15-13-5-3-7-16(10-13)9-12-8-11-4-1-2-6-14(11)12/h1-2,4,6,12-13H,3,5,7-10,15H2/t12?,13-/m1/s1
InChIKeyOFEPVMRLLDILAT-ZGTCLIOFSA-N
MW216.33 g/mol
LogP1.75
Rot. Bonds2

About (3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-3-amine

(3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-3-amine (PubChem CID 102985398) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-3-amine
PubChem CID102985398
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-3-amine
SMILESN[C@@H]1CCCN(CC2Cc3ccccc32)C1
InChIInChI=1S/C14H20N2/c15-13-5-3-7-16(10-13)9-12-8-11-4-1-2-6-14(11)12/h1-2,4,6,12-13H,3,5,7-10,15H2/t12?,13-/m1/s1
InChIKeyOFEPVMRLLDILAT-ZGTCLIOFSA-N
XLogP1.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(chloromethyl)piperidine
CID 66394693
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-3-amine
CID 79220739
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-3-amine
CID 79230283
(3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-ol
CID 66394300
2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]ethanamine
CID 66417765
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929794
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)-3-methyl-1,5-diazocane
CID 66408448
N-[[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 66409309
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
1-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109552
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-4-carboximidamide
CID 66419716

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-3-amine?
The IUPAC name of (3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-3-amine (CID 102985398) is (3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-3-amine.
What is the SMILES notation for (3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-3-amine?
The canonical SMILES for (3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-3-amine is N[C@@H]1CCCN(CC2Cc3ccccc32)C1.
What is the InChIKey of (3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-3-amine?
The InChIKey is OFEPVMRLLDILAT-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H20N2/c15-13-5-3-7-16(10-13)9-12-8-11-4-1-2-6-14(11)12/h1-2,4,6,12-13H,3,5,7-10,15H2/t12?,13-/m1/s1.
What are the key properties of (3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-3-amine?
(3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-3-amine has a molecular weight of 216.33 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-3-amine is sourced from PubChem (CID 102985398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).