5,5-diethyl-1-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpiperazine

C18H31N3 — CID 64947762

IUPAC5,5-diethyl-1-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpiperazine
SMILESCCC1(CC)CN(Cc2cccc(C)n2)C(C(C)C)CN1
InChIInChI=1S/C18H31N3/c1-6-18(7-2)13-21(17(11-19-18)14(3)4)12-16-10-8-9-15(5)20-16/h8-10,14,17,19H,6-7,11-13H2,1-5H3
InChIKeyIPEPSRKYDYNDQS-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.38
Rot. Bonds5

About 5,5-diethyl-1-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpiperazine

5,5-diethyl-1-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpiperazine (PubChem CID 64947762) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 5,5-diethyl-1-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5,5-diethyl-1-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpiperazine
PubChem CID64947762
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name5,5-diethyl-1-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpiperazine
SMILESCCC1(CC)CN(Cc2cccc(C)n2)C(C(C)C)CN1
InChIInChI=1S/C18H31N3/c1-6-18(7-2)13-21(17(11-19-18)14(3)4)12-16-10-8-9-15(5)20-16/h8-10,14,17,19H,6-7,11-13H2,1-5H3
InChIKeyIPEPSRKYDYNDQS-UHFFFAOYSA-N
XLogP3.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5,5-triethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 64947930
2-[(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376737
2,5-diethyl-5-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 64948112
4-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-2-methylpyrimidine
CID 64945782
5,5-diethyl-2,2-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 79261770
2-[2-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64939834
2,5,5-triethyl-1-[(6-methoxy-2-pyridinyl)methyl]piperazine
CID 64861386
5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine
CID 82872161
5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propan-2-ylpiperazine
CID 107055837
4-[(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 64940443
3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64947932
1-[(3,4-dimethylphenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64847914

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpiperazine?
The IUPAC name of 5,5-diethyl-1-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpiperazine (CID 64947762) is 5,5-diethyl-1-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 5,5-diethyl-1-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 5,5-diethyl-1-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpiperazine is CCC1(CC)CN(Cc2cccc(C)n2)C(C(C)C)CN1.
What is the InChIKey of 5,5-diethyl-1-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpiperazine?
The InChIKey is IPEPSRKYDYNDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-6-18(7-2)13-21(17(11-19-18)14(3)4)12-16-10-8-9-15(5)20-16/h8-10,14,17,19H,6-7,11-13H2,1-5H3.
What are the key properties of 5,5-diethyl-1-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpiperazine?
5,5-diethyl-1-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpiperazine has a molecular weight of 289.47 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 64947762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).