4-(cyclopropylmethyl)-4-(ethoxymethyl)piperidine;molecular hydrogen

C12H25NO — CID 143945266

IUPAC4-(cyclopropylmethyl)-4-(ethoxymethyl)piperidine;molecular hydrogen
SMILESCCOCC1(CC2CC2)CCNCC1.[H][H]
InChIInChI=1S/C12H23NO.H2/c1-2-14-10-12(9-11-3-4-11)5-7-13-8-6-12;/h11,13H,2-10H2,1H3;1H
InChIKeyJFRLYQIMZKWQII-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds5

About 4-(cyclopropylmethyl)-4-(ethoxymethyl)piperidine;molecular hydrogen

4-(cyclopropylmethyl)-4-(ethoxymethyl)piperidine;molecular hydrogen (PubChem CID 143945266) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-4-(ethoxymethyl)piperidine;molecular hydrogen.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-4-(ethoxymethyl)piperidine;molecular hydrogen
PubChem CID143945266
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-(cyclopropylmethyl)-4-(ethoxymethyl)piperidine;molecular hydrogen
SMILESCCOCC1(CC2CC2)CCNCC1.[H][H]
InChIInChI=1S/C12H23NO.H2/c1-2-14-10-12(9-11-3-4-11)5-7-13-8-6-12;/h11,13H,2-10H2,1H3;1H
InChIKeyJFRLYQIMZKWQII-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-4-(ethoxymethyl)piperidine;molecular hydrogen?
The IUPAC name of 4-(cyclopropylmethyl)-4-(ethoxymethyl)piperidine;molecular hydrogen (CID 143945266) is 4-(cyclopropylmethyl)-4-(ethoxymethyl)piperidine;molecular hydrogen.
What is the SMILES notation for 4-(cyclopropylmethyl)-4-(ethoxymethyl)piperidine;molecular hydrogen?
The canonical SMILES for 4-(cyclopropylmethyl)-4-(ethoxymethyl)piperidine;molecular hydrogen is CCOCC1(CC2CC2)CCNCC1.[H][H].
What is the InChIKey of 4-(cyclopropylmethyl)-4-(ethoxymethyl)piperidine;molecular hydrogen?
The InChIKey is JFRLYQIMZKWQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO.H2/c1-2-14-10-12(9-11-3-4-11)5-7-13-8-6-12;/h11,13H,2-10H2,1H3;1H.
What are the key properties of 4-(cyclopropylmethyl)-4-(ethoxymethyl)piperidine;molecular hydrogen?
4-(cyclopropylmethyl)-4-(ethoxymethyl)piperidine;molecular hydrogen has a molecular weight of 199.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-4-(ethoxymethyl)piperidine;molecular hydrogen is sourced from PubChem (CID 143945266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).