ethane;1-methyl-4-[(5-methyl-3-pyridinyl)methyl]piperazine

C14H25N3 — CID 143962339

IUPACethane;1-methyl-4-[(5-methyl-3-pyridinyl)methyl]piperazine
SMILESCC.Cc1cncc(CN2CCN(C)CC2)c1
InChIInChI=1S/C12H19N3.C2H6/c1-11-7-12(9-13-8-11)10-15-5-3-14(2)4-6-15;1-2/h7-9H,3-6,10H2,1-2H3;1-2H3
InChIKeyFQRWNBRAGYQYQZ-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.16
Rot. Bonds2

About ethane;1-methyl-4-[(5-methyl-3-pyridinyl)methyl]piperazine

ethane;1-methyl-4-[(5-methyl-3-pyridinyl)methyl]piperazine (PubChem CID 143962339) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is ethane;1-methyl-4-[(5-methyl-3-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Nameethane;1-methyl-4-[(5-methyl-3-pyridinyl)methyl]piperazine
PubChem CID143962339
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Nameethane;1-methyl-4-[(5-methyl-3-pyridinyl)methyl]piperazine
SMILESCC.Cc1cncc(CN2CCN(C)CC2)c1
InChIInChI=1S/C12H19N3.C2H6/c1-11-7-12(9-13-8-11)10-15-5-3-14(2)4-6-15;1-2/h7-9H,3-6,10H2,1-2H3;1-2H3
InChIKeyFQRWNBRAGYQYQZ-UHFFFAOYSA-N
XLogP2.16
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(5-methyl-3-pyridinyl)methyl]-1,4-diazepan-1-yl]butan-1-amine
CID 102880564
4-methyl-N-[(5-methyl-3-pyridinyl)methyl]piperazin-1-amine
CID 102881009
3-[[3-(2-bromoethyl)pyrrolidin-1-yl]methyl]-5-methylpyridine
CID 102879078
ethane;1-[(3-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
CID 144655249
2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 166602045
1-[[5-(3-chlorophenyl)-3-pyridinyl]methyl]-4-methylpiperazine
CID 42851810
[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 103840862
3-[[3-(chloromethyl)piperidin-1-yl]methyl]-5-methylpyridine
CID 102878825
1-(2-bromoethyl)-4-[(5-bromo-3-pyridinyl)methyl]piperazine
CID 104811250
N-[1-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-yl]ethyl]propan-1-amine
CID 102880165
N-(3-acetamidophenyl)-2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 166602168
ethane;2-(4-methylpiperazin-1-yl)-N-(5-methyl-3-pyridinyl)ethanesulfonamide
CID 145106847

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[(5-methyl-3-pyridinyl)methyl]piperazine?
The IUPAC name of ethane;1-methyl-4-[(5-methyl-3-pyridinyl)methyl]piperazine (CID 143962339) is ethane;1-methyl-4-[(5-methyl-3-pyridinyl)methyl]piperazine.
What is the SMILES notation for ethane;1-methyl-4-[(5-methyl-3-pyridinyl)methyl]piperazine?
The canonical SMILES for ethane;1-methyl-4-[(5-methyl-3-pyridinyl)methyl]piperazine is CC.Cc1cncc(CN2CCN(C)CC2)c1.
What is the InChIKey of ethane;1-methyl-4-[(5-methyl-3-pyridinyl)methyl]piperazine?
The InChIKey is FQRWNBRAGYQYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3.C2H6/c1-11-7-12(9-13-8-11)10-15-5-3-14(2)4-6-15;1-2/h7-9H,3-6,10H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-4-[(5-methyl-3-pyridinyl)methyl]piperazine?
ethane;1-methyl-4-[(5-methyl-3-pyridinyl)methyl]piperazine has a molecular weight of 235.38 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[(5-methyl-3-pyridinyl)methyl]piperazine is sourced from PubChem (CID 143962339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).