1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-amine

C11H19N3 — CID 126490092

IUPAC1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-amine
SMILESNC1C=CC(N2CCC(N)CC2)=CC1
InChIInChI=1S/C11H19N3/c12-9-1-3-11(4-2-9)14-7-5-10(13)6-8-14/h1,3-4,9-10H,2,5-8,12-13H2
InChIKeyBVDVRVXLVRHCOB-UHFFFAOYSA-N
MW193.29 g/mol
LogP0.58
Rot. Bonds1

About 1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-amine

1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-amine (PubChem CID 126490092) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-amine
PubChem CID126490092
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-amine
SMILESNC1C=CC(N2CCC(N)CC2)=CC1
InChIInChI=1S/C11H19N3/c12-9-1-3-11(4-2-9)14-7-5-10(13)6-8-14/h1,3-4,9-10H,2,5-8,12-13H2
InChIKeyBVDVRVXLVRHCOB-UHFFFAOYSA-N
XLogP0.58
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-amine?
The IUPAC name of 1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-amine (CID 126490092) is 1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-amine.
What is the SMILES notation for 1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-amine?
The canonical SMILES for 1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-amine is NC1C=CC(N2CCC(N)CC2)=CC1.
What is the InChIKey of 1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-amine?
The InChIKey is BVDVRVXLVRHCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c12-9-1-3-11(4-2-9)14-7-5-10(13)6-8-14/h1,3-4,9-10H,2,5-8,12-13H2.
What are the key properties of 1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-amine?
1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-amine has a molecular weight of 193.29 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexa-1,5-dien-1-yl)piperidin-4-amine is sourced from PubChem (CID 126490092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).