ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine

C15H33N3 — CID 163403762

IUPACethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine
SMILESCC.CCN1CCC(CN2CCN(C)CC2)CC1
InChIInChI=1S/C13H27N3.C2H6/c1-3-15-6-4-13(5-7-15)12-16-10-8-14(2)9-11-16;1-2/h13H,3-12H2,1-2H3;1-2H3
InChIKeyCGBSYVDNLZLKEI-UHFFFAOYSA-N
MW255.45 g/mol
LogP1.99
Rot. Bonds3

About ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine

ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine (PubChem CID 163403762) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Nameethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine
PubChem CID163403762
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Nameethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine
SMILESCC.CCN1CCC(CN2CCN(C)CC2)CC1
InChIInChI=1S/C13H27N3.C2H6/c1-3-15-6-4-13(5-7-15)12-16-10-8-14(2)9-11-16;1-2/h13H,3-12H2,1-2H3;1-2H3
InChIKeyCGBSYVDNLZLKEI-UHFFFAOYSA-N
XLogP1.99
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-diethylpiperidine;1-ethyl-4-methylpiperazine
CID 143157970
1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 169319865
1-ethyl-4-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine
CID 171641415
1,4-dimethylpiperazine;1-ethyl-4-methylpiperazine
CID 160568928
ethane;1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-ol;propane
CID 168901872
7-[(1-ethylpiperidin-4-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
CID 171641209
1-methyl-4-[(4-propylcyclohexyl)methyl]piperazine
CID 91446978
ethane;1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 170586549
ethane;1-ethyl-4-methylpiperazine;methanethiol
CID 142272147
ethane;6-ethyl-2-[(1-ethylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 156885432
1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 91309276
4-[(1-ethylpiperidin-4-yl)methyl]morpholine;propane
CID 176563536

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine?
The IUPAC name of ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine (CID 163403762) is ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine.
What is the SMILES notation for ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine?
The canonical SMILES for ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine is CC.CCN1CCC(CN2CCN(C)CC2)CC1.
What is the InChIKey of ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine?
The InChIKey is CGBSYVDNLZLKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3.C2H6/c1-3-15-6-4-13(5-7-15)12-16-10-8-14(2)9-11-16;1-2/h13H,3-12H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine?
ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine has a molecular weight of 255.45 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine is sourced from PubChem (CID 163403762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).