ethane;1-methyl-4-(2-piperidin-1-ylethyl)piperazine

C18H43N3 — CID 142839710

IUPACethane;1-methyl-4-(2-piperidin-1-ylethyl)piperazine
SMILESCC.CC.CC.CN1CCN(CCN2CCCCC2)CC1
InChIInChI=1S/C12H25N3.3C2H6/c1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14;3*1-2/h2-12H2,1H3;3*1-2H3
InChIKeyZWLVWWIQPATHTB-UHFFFAOYSA-N
MW301.56 g/mol
LogP3.80
Rot. Bonds3

About ethane;1-methyl-4-(2-piperidin-1-ylethyl)piperazine

ethane;1-methyl-4-(2-piperidin-1-ylethyl)piperazine (PubChem CID 142839710) has the molecular formula C18H43N3 and a molecular weight of 301.56 g/mol. Its IUPAC name is ethane;1-methyl-4-(2-piperidin-1-ylethyl)piperazine.

Molecular Properties

Compound Nameethane;1-methyl-4-(2-piperidin-1-ylethyl)piperazine
PubChem CID142839710
Molecular FormulaC18H43N3
Molecular Weight301.56 g/mol
Exact Mass301.35
IUPAC Nameethane;1-methyl-4-(2-piperidin-1-ylethyl)piperazine
SMILESCC.CC.CC.CN1CCN(CCN2CCCCC2)CC1
InChIInChI=1S/C12H25N3.3C2H6/c1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14;3*1-2/h2-12H2,1H3;3*1-2H3
InChIKeyZWLVWWIQPATHTB-UHFFFAOYSA-N
XLogP3.80
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.56
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Dipiperidinoethane
CID 74733
Piperazine, 1,4-bis(3-piperidinoethyl)-
CID 211252
Dabco-C16
CID 11611423
1-(6-Piperidin-1-ylhexyl)piperidine
CID 23723171
1,1'-(Pentane-1,5-diyl)bis(1-methylpiperidin-1-ium) dibromide
CID 115895
Piperidine, 1,1'-(1,2-ethanediyl)bis-, dihydrochloride
CID 121222
1,6-Dipiperidinohexane
CID 1825862
1,4-Dihexylpiperazine
CID 175408
1,5-Di(1-piperidinyl)pentane
CID 240409
1-Methyl-1-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium
CID 410381
Piperidinium, 1,1'-(1,4-butanediyl)bis(1-methyl-, diiodide
CID 77424
Piperazinium, 4,4'-decamethylenebis(1-ethyl-1-methyl-, diiodide
CID 198948

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(2-piperidin-1-ylethyl)piperazine?
The IUPAC name of ethane;1-methyl-4-(2-piperidin-1-ylethyl)piperazine (CID 142839710) is ethane;1-methyl-4-(2-piperidin-1-ylethyl)piperazine.
What is the SMILES notation for ethane;1-methyl-4-(2-piperidin-1-ylethyl)piperazine?
The canonical SMILES for ethane;1-methyl-4-(2-piperidin-1-ylethyl)piperazine is CC.CC.CC.CN1CCN(CCN2CCCCC2)CC1.
What is the InChIKey of ethane;1-methyl-4-(2-piperidin-1-ylethyl)piperazine?
The InChIKey is ZWLVWWIQPATHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3.3C2H6/c1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14;3*1-2/h2-12H2,1H3;3*1-2H3.
What are the key properties of ethane;1-methyl-4-(2-piperidin-1-ylethyl)piperazine?
ethane;1-methyl-4-(2-piperidin-1-ylethyl)piperazine has a molecular weight of 301.56 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(2-piperidin-1-ylethyl)piperazine is sourced from PubChem (CID 142839710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).