4-piperazin-1-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyridin-2-amine

C19H30N4 — CID 76709089

IUPAC4-piperazin-1-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyridin-2-amine
SMILESCC1C(Nc2cc(N3CCNCC3)ccn2)CC2CC1C2(C)C
InChIInChI=1S/C19H30N4/c1-13-16-10-14(19(16,2)3)11-17(13)22-18-12-15(4-5-21-18)23-8-6-20-7-9-23/h4-5,12-14,16-17,20H,6-11H2,1-3H3,(H,21,22)
InChIKeyAWNJSUMHPQAKMW-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.97
Rot. Bonds3

About 4-piperazin-1-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyridin-2-amine

4-piperazin-1-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyridin-2-amine (PubChem CID 76709089) has the molecular formula C19H30N4 and a molecular weight of 314.48 g/mol. Its IUPAC name is 4-piperazin-1-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyridin-2-amine.

Molecular Properties

Compound Name4-piperazin-1-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyridin-2-amine
PubChem CID76709089
Molecular FormulaC19H30N4
Molecular Weight314.48 g/mol
Exact Mass314.25
IUPAC Name4-piperazin-1-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyridin-2-amine
SMILESCC1C(Nc2cc(N3CCNCC3)ccn2)CC2CC1C2(C)C
InChIInChI=1S/C19H30N4/c1-13-16-10-14(19(16,2)3)11-17(13)22-18-12-15(4-5-21-18)23-8-6-20-7-9-23/h4-5,12-14,16-17,20H,6-11H2,1-3H3,(H,21,22)
InChIKeyAWNJSUMHPQAKMW-UHFFFAOYSA-N
XLogP2.97
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyridin-2-amine?
The IUPAC name of 4-piperazin-1-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyridin-2-amine (CID 76709089) is 4-piperazin-1-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyridin-2-amine.
What is the SMILES notation for 4-piperazin-1-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyridin-2-amine?
The canonical SMILES for 4-piperazin-1-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyridin-2-amine is CC1C(Nc2cc(N3CCNCC3)ccn2)CC2CC1C2(C)C.
What is the InChIKey of 4-piperazin-1-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyridin-2-amine?
The InChIKey is AWNJSUMHPQAKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4/c1-13-16-10-14(19(16,2)3)11-17(13)22-18-12-15(4-5-21-18)23-8-6-20-7-9-23/h4-5,12-14,16-17,20H,6-11H2,1-3H3,(H,21,22).
What are the key properties of 4-piperazin-1-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyridin-2-amine?
4-piperazin-1-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyridin-2-amine has a molecular weight of 314.48 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyridin-2-amine is sourced from PubChem (CID 76709089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).