1-ethyl-2,5-dimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine

C15H31N3 — CID 165137727

IUPAC1-ethyl-2,5-dimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
SMILESCCN1CC(C)N(CC2CCN(C)CC2)CC1C
InChIInChI=1S/C15H31N3/c1-5-17-10-14(3)18(11-13(17)2)12-15-6-8-16(4)9-7-15/h13-15H,5-12H2,1-4H3
InChIKeySZYCNFYVGRAWKL-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.74
Rot. Bonds3

About 1-ethyl-2,5-dimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine

1-ethyl-2,5-dimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine (PubChem CID 165137727) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-ethyl-2,5-dimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-2,5-dimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
PubChem CID165137727
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-ethyl-2,5-dimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
SMILESCCN1CC(C)N(CC2CCN(C)CC2)CC1C
InChIInChI=1S/C15H31N3/c1-5-17-10-14(3)18(11-13(17)2)12-15-6-8-16(4)9-7-15/h13-15H,5-12H2,1-4H3
InChIKeySZYCNFYVGRAWKL-UHFFFAOYSA-N
XLogP1.74
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(2S)-1-ethyl-2-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 165138024
2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane
CID 170629635
(5R)-2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane
CID 170629504
3-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 113252406
(2R)-1-(cyclobutylmethyl)-2,4-dimethylpiperazine
CID 130719012
1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 155218428
1-ethyl-2,5-dimethyl-4-(piperidin-3-ylmethyl)piperazine
CID 120848946
6-ethyl-1,4-dimethyl-1,4-diazocane
CID 174327849
1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 169319865
2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine
CID 64931690
5-butan-2-yl-2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine
CID 64936762
3-ethyl-1-methylpyrrolidine;methane
CID 161184146

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,5-dimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of 1-ethyl-2,5-dimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine (CID 165137727) is 1-ethyl-2,5-dimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for 1-ethyl-2,5-dimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for 1-ethyl-2,5-dimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine is CCN1CC(C)N(CC2CCN(C)CC2)CC1C.
What is the InChIKey of 1-ethyl-2,5-dimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
The InChIKey is SZYCNFYVGRAWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-5-17-10-14(3)18(11-13(17)2)12-15-6-8-16(4)9-7-15/h13-15H,5-12H2,1-4H3.
What are the key properties of 1-ethyl-2,5-dimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
1-ethyl-2,5-dimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine has a molecular weight of 253.43 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,5-dimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 165137727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).