1-(2,4-dimethyl-3-pyridinyl)-2-methyl-5-propan-2-ylpiperazine

C15H25N3 — CID 112741992

IUPAC1-(2,4-dimethyl-3-pyridinyl)-2-methyl-5-propan-2-ylpiperazine
SMILESCc1ccnc(C)c1N1CC(C(C)C)NCC1C
InChIInChI=1S/C15H25N3/c1-10(2)14-9-18(12(4)8-17-14)15-11(3)6-7-16-13(15)5/h6-7,10,12,14,17H,8-9H2,1-5H3
InChIKeyZZXRKEMBFQGPNB-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.52
Rot. Bonds2

About 1-(2,4-dimethyl-3-pyridinyl)-2-methyl-5-propan-2-ylpiperazine

1-(2,4-dimethyl-3-pyridinyl)-2-methyl-5-propan-2-ylpiperazine (PubChem CID 112741992) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-(2,4-dimethyl-3-pyridinyl)-2-methyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2,4-dimethyl-3-pyridinyl)-2-methyl-5-propan-2-ylpiperazine
PubChem CID112741992
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-(2,4-dimethyl-3-pyridinyl)-2-methyl-5-propan-2-ylpiperazine
SMILESCc1ccnc(C)c1N1CC(C(C)C)NCC1C
InChIInChI=1S/C15H25N3/c1-10(2)14-9-18(12(4)8-17-14)15-11(3)6-7-16-13(15)5/h6-7,10,12,14,17H,8-9H2,1-5H3
InChIKeyZZXRKEMBFQGPNB-UHFFFAOYSA-N
XLogP2.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-3-pyridinyl)-2-methyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-(2,4-dimethyl-3-pyridinyl)-2-methyl-5-propan-2-ylpiperazine (CID 112741992) is 1-(2,4-dimethyl-3-pyridinyl)-2-methyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2,4-dimethyl-3-pyridinyl)-2-methyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-(2,4-dimethyl-3-pyridinyl)-2-methyl-5-propan-2-ylpiperazine is Cc1ccnc(C)c1N1CC(C(C)C)NCC1C.
What is the InChIKey of 1-(2,4-dimethyl-3-pyridinyl)-2-methyl-5-propan-2-ylpiperazine?
The InChIKey is ZZXRKEMBFQGPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-10(2)14-9-18(12(4)8-17-14)15-11(3)6-7-16-13(15)5/h6-7,10,12,14,17H,8-9H2,1-5H3.
What are the key properties of 1-(2,4-dimethyl-3-pyridinyl)-2-methyl-5-propan-2-ylpiperazine?
1-(2,4-dimethyl-3-pyridinyl)-2-methyl-5-propan-2-ylpiperazine has a molecular weight of 247.39 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-3-pyridinyl)-2-methyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 112741992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).