ethane;4-[(4-ethyltriazol-1-yl)methyl]piperidine

C12H24N4 — CID 165137326

IUPACethane;4-[(4-ethyltriazol-1-yl)methyl]piperidine
SMILESCC.CCc1cn(CC2CCNCC2)nn1
InChIInChI=1S/C10H18N4.C2H6/c1-2-10-8-14(13-12-10)7-9-3-5-11-6-4-9;1-2/h8-9,11H,2-7H2,1H3;1-2H3
InChIKeyNBGFYVFVHKGIRF-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.87
Rot. Bonds3

About ethane;4-[(4-ethyltriazol-1-yl)methyl]piperidine

ethane;4-[(4-ethyltriazol-1-yl)methyl]piperidine (PubChem CID 165137326) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is ethane;4-[(4-ethyltriazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Nameethane;4-[(4-ethyltriazol-1-yl)methyl]piperidine
PubChem CID165137326
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Nameethane;4-[(4-ethyltriazol-1-yl)methyl]piperidine
SMILESCC.CCc1cn(CC2CCNCC2)nn1
InChIInChI=1S/C10H18N4.C2H6/c1-2-10-8-14(13-12-10)7-9-3-5-11-6-4-9;1-2/h8-9,11H,2-7H2,1H3;1-2H3
InChIKeyNBGFYVFVHKGIRF-UHFFFAOYSA-N
XLogP1.87
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;4-[(4-ethyltriazol-1-yl)methyl]piperidine?
The IUPAC name of ethane;4-[(4-ethyltriazol-1-yl)methyl]piperidine (CID 165137326) is ethane;4-[(4-ethyltriazol-1-yl)methyl]piperidine.
What is the SMILES notation for ethane;4-[(4-ethyltriazol-1-yl)methyl]piperidine?
The canonical SMILES for ethane;4-[(4-ethyltriazol-1-yl)methyl]piperidine is CC.CCc1cn(CC2CCNCC2)nn1.
What is the InChIKey of ethane;4-[(4-ethyltriazol-1-yl)methyl]piperidine?
The InChIKey is NBGFYVFVHKGIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4.C2H6/c1-2-10-8-14(13-12-10)7-9-3-5-11-6-4-9;1-2/h8-9,11H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;4-[(4-ethyltriazol-1-yl)methyl]piperidine?
ethane;4-[(4-ethyltriazol-1-yl)methyl]piperidine has a molecular weight of 224.35 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(4-ethyltriazol-1-yl)methyl]piperidine is sourced from PubChem (CID 165137326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).