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

C17H22N4 — CID 107109552

IUPAC1-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]pyrazol-3-amine
SMILESNc1ccn(C2CCN(CC3Cc4ccccc43)CC2)n1
InChIInChI=1S/C17H22N4/c18-17-7-10-21(19-17)15-5-8-20(9-6-15)12-14-11-13-3-1-2-4-16(13)14/h1-4,7,10,14-15H,5-6,8-9,11-12H2,(H2,18,19)
InChIKeyLXJMIHQCBQFKSM-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.44
Rot. Bonds3

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

1-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]pyrazol-3-amine (PubChem CID 107109552) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]pyrazol-3-amine
PubChem CID107109552
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name1-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]pyrazol-3-amine
SMILESNc1ccn(C2CCN(CC3Cc4ccccc43)CC2)n1
InChIInChI=1S/C17H22N4/c18-17-7-10-21(19-17)15-5-8-20(9-6-15)12-14-11-13-3-1-2-4-16(13)14/h1-4,7,10,14-15H,5-6,8-9,11-12H2,(H2,18,19)
InChIKeyLXJMIHQCBQFKSM-UHFFFAOYSA-N
XLogP2.44
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]pyrazol-3-amine with MolForge

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Related Compounds

2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]ethanamine
CID 66417765
(3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-3-ol
CID 66394300
1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrazol-3-amine
CID 107110097
1-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109686
(3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-3-amine
CID 102985398
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-4-carboximidamide
CID 66419716
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-(1-chloroethyl)piperidine
CID 106838163
1-(1-heptylpiperidin-4-yl)pyrazol-3-amine
CID 107109683
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-amine
CID 107109946
2-[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 66419674
1-[1-(4-methylpentyl)piperidin-4-yl]pyrazol-3-amine
CID 107109773
4-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methylbutan-2-ol
CID 107109591

Frequently Asked Questions

What is the IUPAC name of 1-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]pyrazol-3-amine?
The IUPAC name of 1-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]pyrazol-3-amine (CID 107109552) is 1-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]pyrazol-3-amine.
What is the SMILES notation for 1-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]pyrazol-3-amine?
The canonical SMILES for 1-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]pyrazol-3-amine is Nc1ccn(C2CCN(CC3Cc4ccccc43)CC2)n1.
What is the InChIKey of 1-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]pyrazol-3-amine?
The InChIKey is LXJMIHQCBQFKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c18-17-7-10-21(19-17)15-5-8-20(9-6-15)12-14-11-13-3-1-2-4-16(13)14/h1-4,7,10,14-15H,5-6,8-9,11-12H2,(H2,18,19).
What are the key properties of 1-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]pyrazol-3-amine?
1-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]pyrazol-3-amine has a molecular weight of 282.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-4-yl]pyrazol-3-amine is sourced from PubChem (CID 107109552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).