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

C14H31N3 — CID 153398628

IUPACethane;1-[2-(4-methylpiperidin-1-yl)ethyl]piperazine
SMILESCC.CC1CCN(CCN2CCNCC2)CC1
InChIInChI=1S/C12H25N3.C2H6/c1-12-2-6-14(7-3-12)10-11-15-8-4-13-5-9-15;1-2/h12-13H,2-11H2,1H3;1-2H3
InChIKeyJOJYJUIJUBBQTD-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.65
Rot. Bonds3

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

ethane;1-[2-(4-methylpiperidin-1-yl)ethyl]piperazine (PubChem CID 153398628) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is ethane;1-[2-(4-methylpiperidin-1-yl)ethyl]piperazine.

Molecular Properties

Compound Nameethane;1-[2-(4-methylpiperidin-1-yl)ethyl]piperazine
PubChem CID153398628
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Nameethane;1-[2-(4-methylpiperidin-1-yl)ethyl]piperazine
SMILESCC.CC1CCN(CCN2CCNCC2)CC1
InChIInChI=1S/C12H25N3.C2H6/c1-12-2-6-14(7-3-12)10-11-15-8-4-13-5-9-15;1-2/h12-13H,2-11H2,1H3;1-2H3
InChIKeyJOJYJUIJUBBQTD-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperazine
CID 60851611
ethane;4-(2-piperazin-1-ylethyl)morpholine
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CID 145158402
ethane;2-(4-methylpiperidin-1-yl)ethanamine
CID 143291209
ethane;1-methylpiperazine;4-methylpiperidine
CID 166533562
1-[3-(3-methylazetidin-1-yl)propyl]piperazine
CID 79677275
N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 61241814
1,7-dimethyl-1,4-diazonane
CID 59686503
4-methyl-N-(2-piperazin-1-ylethyl)piperidine-1-sulfonamide;dihydrochloride
CID 119966686
ethane;1-ethyl-4-methylpiperidine
CID 143737046
1-(2-piperazin-1-ylethyl)azocane
CID 60851971
1-(2-piperazin-1-ylethyl)-4-(piperazin-1-ylmethyl)piperazine
CID 91441427

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-(4-methylpiperidin-1-yl)ethyl]piperazine?
The IUPAC name of ethane;1-[2-(4-methylpiperidin-1-yl)ethyl]piperazine (CID 153398628) is ethane;1-[2-(4-methylpiperidin-1-yl)ethyl]piperazine.
What is the SMILES notation for ethane;1-[2-(4-methylpiperidin-1-yl)ethyl]piperazine?
The canonical SMILES for ethane;1-[2-(4-methylpiperidin-1-yl)ethyl]piperazine is CC.CC1CCN(CCN2CCNCC2)CC1.
What is the InChIKey of ethane;1-[2-(4-methylpiperidin-1-yl)ethyl]piperazine?
The InChIKey is JOJYJUIJUBBQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3.C2H6/c1-12-2-6-14(7-3-12)10-11-15-8-4-13-5-9-15;1-2/h12-13H,2-11H2,1H3;1-2H3.
What are the key properties of ethane;1-[2-(4-methylpiperidin-1-yl)ethyl]piperazine?
ethane;1-[2-(4-methylpiperidin-1-yl)ethyl]piperazine has a molecular weight of 241.42 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-(4-methylpiperidin-1-yl)ethyl]piperazine is sourced from PubChem (CID 153398628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).