4-methyl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine

C14H23N3 — CID 75506916

IUPAC4-methyl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine
SMILESCC(C)C1CN(C)CCN1Cc1ccncc1
InChIInChI=1S/C14H23N3/c1-12(2)14-11-16(3)8-9-17(14)10-13-4-6-15-7-5-13/h4-7,12,14H,8-11H2,1-3H3
InChIKeyOJNJCPCPRKPACE-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.85
Rot. Bonds3

About 4-methyl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine

4-methyl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine (PubChem CID 75506916) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine
PubChem CID75506916
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-methyl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine
SMILESCC(C)C1CN(C)CCN1Cc1ccncc1
InChIInChI=1S/C14H23N3/c1-12(2)14-11-16(3)8-9-17(14)10-13-4-6-15-7-5-13/h4-7,12,14H,8-11H2,1-3H3
InChIKeyOJNJCPCPRKPACE-UHFFFAOYSA-N
XLogP1.85
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 4-methyl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine (CID 75506916) is 4-methyl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 4-methyl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 4-methyl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine is CC(C)C1CN(C)CCN1Cc1ccncc1.
What is the InChIKey of 4-methyl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine?
The InChIKey is OJNJCPCPRKPACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-12(2)14-11-16(3)8-9-17(14)10-13-4-6-15-7-5-13/h4-7,12,14H,8-11H2,1-3H3.
What are the key properties of 4-methyl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine?
4-methyl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine has a molecular weight of 233.36 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 75506916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).