1-ethylpiperidine;methane

C8H19N — CID 162133943

IUPAC1-ethylpiperidine;methane
SMILESC.CCN1CCCCC1
InChIInChI=1S/C7H15N.CH4/c1-2-8-6-4-3-5-7-8;/h2-7H2,1H3;1H4
InChIKeyZJAFVRRHNOQQST-UHFFFAOYSA-N
MW129.25 g/mol
LogP2.13
Rot. Bonds1

About 1-ethylpiperidine;methane

1-ethylpiperidine;methane (PubChem CID 162133943) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is 1-ethylpiperidine;methane.

Molecular Properties

Compound Name1-ethylpiperidine;methane
PubChem CID162133943
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Name1-ethylpiperidine;methane
SMILESC.CCN1CCCCC1
InChIInChI=1S/C7H15N.CH4/c1-2-8-6-4-3-5-7-8;/h2-7H2,1H3;1H4
InChIKeyZJAFVRRHNOQQST-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethylpiperidine
CID 13007
ethane;1-ethylpiperidine
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1,6-diethyl-1,6-diazecane
CID 172611513
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CID 163271504
dichloromethane;1-ethylpiperidine
CID 174832061
CID 173085999
CID 173085999
bicyclo[2.2.0]hexa-1,3,5-triene;1-ethylpiperidine
CID 70007313
1-ethyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 142139915
1-ethylpyrrolidine;sulfanyloxymethane
CID 172620530
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
ethane;1-ethylpyrrolidine;2-methylpropan-2-amine
CID 168977329
1-ethylpiperidine;4-methylmorpholine
CID 70445137

Frequently Asked Questions

What is the IUPAC name of 1-ethylpiperidine;methane?
The IUPAC name of 1-ethylpiperidine;methane (CID 162133943) is 1-ethylpiperidine;methane.
What is the SMILES notation for 1-ethylpiperidine;methane?
The canonical SMILES for 1-ethylpiperidine;methane is C.CCN1CCCCC1.
What is the InChIKey of 1-ethylpiperidine;methane?
The InChIKey is ZJAFVRRHNOQQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.CH4/c1-2-8-6-4-3-5-7-8;/h2-7H2,1H3;1H4.
What are the key properties of 1-ethylpiperidine;methane?
1-ethylpiperidine;methane has a molecular weight of 129.25 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpiperidine;methane is sourced from PubChem (CID 162133943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).