5,5-diethyl-2,2-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine

C17H29N3 — CID 102879645

IUPAC5,5-diethyl-2,2-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine
SMILESCCC1(CC)CN(Cc2cncc(C)c2)C(C)(C)CN1
InChIInChI=1S/C17H29N3/c1-6-17(7-2)13-20(16(4,5)12-19-17)11-15-8-14(3)9-18-10-15/h8-10,19H,6-7,11-13H2,1-5H3
InChIKeySPPRUJIMYTWWPW-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.13
Rot. Bonds4

About 5,5-diethyl-2,2-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine

5,5-diethyl-2,2-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine (PubChem CID 102879645) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 5,5-diethyl-2,2-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name5,5-diethyl-2,2-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine
PubChem CID102879645
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name5,5-diethyl-2,2-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine
SMILESCCC1(CC)CN(Cc2cncc(C)c2)C(C)(C)CN1
InChIInChI=1S/C17H29N3/c1-6-17(7-2)13-20(16(4,5)12-19-17)11-15-8-14(3)9-18-10-15/h8-10,19H,6-7,11-13H2,1-5H3
InChIKeySPPRUJIMYTWWPW-UHFFFAOYSA-N
XLogP3.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-diethyl-2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64861803
5,5-diethyl-1-[(4-ethylphenyl)methyl]-2,2-dimethylpiperazine
CID 64861798
1-[(5-bromo-3-pyridinyl)methyl]-2,2,5,5-tetramethylpiperazine
CID 104812423
5,5-diethyl-1-[(4-methoxyphenyl)methyl]-2,2-dimethylpiperazine
CID 64861033
5,5-diethyl-2,2-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 79261770
1-[(3-bromo-4-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine
CID 64862571
1-[(4-chloro-3-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine
CID 107888674
5,5-diethyl-2,2-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine
CID 115982543
5,5-diethyl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64861609
1-[(2-chloro-5-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine
CID 102620737
8,8-diethyl-6-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64860083
5,5-diethyl-1-(2-ethylbutyl)-2,2-dimethylpiperazine
CID 82925143

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2,2-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine?
The IUPAC name of 5,5-diethyl-2,2-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine (CID 102879645) is 5,5-diethyl-2,2-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine.
What is the SMILES notation for 5,5-diethyl-2,2-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine?
The canonical SMILES for 5,5-diethyl-2,2-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine is CCC1(CC)CN(Cc2cncc(C)c2)C(C)(C)CN1.
What is the InChIKey of 5,5-diethyl-2,2-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine?
The InChIKey is SPPRUJIMYTWWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-6-17(7-2)13-20(16(4,5)12-19-17)11-15-8-14(3)9-18-10-15/h8-10,19H,6-7,11-13H2,1-5H3.
What are the key properties of 5,5-diethyl-2,2-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine?
5,5-diethyl-2,2-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine has a molecular weight of 275.44 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2,2-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine is sourced from PubChem (CID 102879645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).