2,2-dimethyl-5-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine

C15H25N3 — CID 64839060

IUPAC2,2-dimethyl-5-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine
SMILESCC(C)C1CN(Cc2ccncc2)C(C)(C)CN1
InChIInChI=1S/C15H25N3/c1-12(2)14-10-18(15(3,4)11-17-14)9-13-5-7-16-8-6-13/h5-8,12,14,17H,9-11H2,1-4H3
InChIKeyKMJODXHTEZZRLE-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.29
Rot. Bonds3

About 2,2-dimethyl-5-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine

2,2-dimethyl-5-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine (PubChem CID 64839060) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2,2-dimethyl-5-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name2,2-dimethyl-5-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine
PubChem CID64839060
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2,2-dimethyl-5-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine
SMILESCC(C)C1CN(Cc2ccncc2)C(C)(C)CN1
InChIInChI=1S/C15H25N3/c1-12(2)14-10-18(15(3,4)11-17-14)9-13-5-7-16-8-6-13/h5-8,12,14,17H,9-11H2,1-4H3
InChIKeyKMJODXHTEZZRLE-UHFFFAOYSA-N
XLogP2.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 2,2-dimethyl-5-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine (CID 64839060) is 2,2-dimethyl-5-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 2,2-dimethyl-5-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 2,2-dimethyl-5-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine is CC(C)C1CN(Cc2ccncc2)C(C)(C)CN1.
What is the InChIKey of 2,2-dimethyl-5-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine?
The InChIKey is KMJODXHTEZZRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12(2)14-10-18(15(3,4)11-17-14)9-13-5-7-16-8-6-13/h5-8,12,14,17H,9-11H2,1-4H3.
What are the key properties of 2,2-dimethyl-5-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine?
2,2-dimethyl-5-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine has a molecular weight of 247.39 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 64839060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).