ethane;(2S)-1-ethyl-2-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine

C20H47N3 — CID 165138024

IUPACethane;(2S)-1-ethyl-2-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
SMILESCC.CC.CC.CCN1CCN(CC2CCN(C)CC2)C[C@@H]1C
InChIInChI=1S/C14H29N3.3C2H6/c1-4-17-10-9-16(11-13(17)2)12-14-5-7-15(3)8-6-14;3*1-2/h13-14H,4-12H2,1-3H3;3*1-2H3/t13-;;;/m0.../s1
InChIKeyOCJBUARMAYUOHG-JEZXJMRTSA-N
MW329.62 g/mol
LogP4.43
Rot. Bonds3

About ethane;(2S)-1-ethyl-2-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine

ethane;(2S)-1-ethyl-2-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine (PubChem CID 165138024) has the molecular formula C20H47N3 and a molecular weight of 329.62 g/mol. Its IUPAC name is ethane;(2S)-1-ethyl-2-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Nameethane;(2S)-1-ethyl-2-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
PubChem CID165138024
Molecular FormulaC20H47N3
Molecular Weight329.62 g/mol
Exact Mass329.38
IUPAC Nameethane;(2S)-1-ethyl-2-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
SMILESCC.CC.CC.CCN1CCN(CC2CCN(C)CC2)C[C@@H]1C
InChIInChI=1S/C14H29N3.3C2H6/c1-4-17-10-9-16(11-13(17)2)12-14-5-7-15(3)8-6-14;3*1-2/h13-14H,4-12H2,1-3H3;3*1-2H3/t13-;;;/m0.../s1
InChIKeyOCJBUARMAYUOHG-JEZXJMRTSA-N
XLogP4.43
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.62
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2,5-dimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 165137727
1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 155218428
ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine
CID 163403762
1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 169319865
2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 63634441
(2R)-4-(cyclopentylmethyl)-1-(2-ethoxyethyl)-2-methylpiperazine
CID 124778699
ethane;1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-ol
CID 177318564
4-ethyl-3-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 165137857
1-ethyl-2-methyl-4-(pyrrolidin-2-ylmethyl)piperazine
CID 63609006
1-ethyl-2-methyl-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine
CID 102819534
4-ethyl-2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 63619575
1-methyl-4-[1-[(1-methylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
CID 169319806

Frequently Asked Questions

What is the IUPAC name of ethane;(2S)-1-ethyl-2-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of ethane;(2S)-1-ethyl-2-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine (CID 165138024) is ethane;(2S)-1-ethyl-2-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for ethane;(2S)-1-ethyl-2-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for ethane;(2S)-1-ethyl-2-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine is CC.CC.CC.CCN1CCN(CC2CCN(C)CC2)C[C@@H]1C.
What is the InChIKey of ethane;(2S)-1-ethyl-2-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
The InChIKey is OCJBUARMAYUOHG-JEZXJMRTSA-N. The full InChI is InChI=1S/C14H29N3.3C2H6/c1-4-17-10-9-16(11-13(17)2)12-14-5-7-15(3)8-6-14;3*1-2/h13-14H,4-12H2,1-3H3;3*1-2H3/t13-;;;/m0.../s1.
What are the key properties of ethane;(2S)-1-ethyl-2-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
ethane;(2S)-1-ethyl-2-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine has a molecular weight of 329.62 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S)-1-ethyl-2-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 165138024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).