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

Paraquat dichloride
CID 15938
3-Methylpyridine
CID 7970
Paraquat
CID 15939
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
3-Ethylpyridine
CID 10823
3-Pyridinemethanamine
CID 31018
Rivanicline
CID 5310967
3-Butylpyridine
CID 10874
4,4'-Bipyridine
CID 11107
4,4'-Dimethyl-2,2'-bipyridine
CID 14338
3-Ethyl-4-methylpyridine
CID 68254
3,5-Dimethylpyridine
CID 11565

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).