ethane;N-ethyl-1-(oxan-4-yl)piperidin-4-amine

C14H30N2O — CID 142345493

IUPACethane;N-ethyl-1-(oxan-4-yl)piperidin-4-amine
SMILESCC.CCNC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C12H24N2O.C2H6/c1-2-13-11-3-7-14(8-4-11)12-5-9-15-10-6-12;1-2/h11-13H,2-10H2,1H3;1-2H3
InChIKeyLUIFBJLDZWQJOQ-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.27
Rot. Bonds3

About ethane;N-ethyl-1-(oxan-4-yl)piperidin-4-amine

ethane;N-ethyl-1-(oxan-4-yl)piperidin-4-amine (PubChem CID 142345493) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is ethane;N-ethyl-1-(oxan-4-yl)piperidin-4-amine.

Molecular Properties

Compound Nameethane;N-ethyl-1-(oxan-4-yl)piperidin-4-amine
PubChem CID142345493
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Nameethane;N-ethyl-1-(oxan-4-yl)piperidin-4-amine
SMILESCC.CCNC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C12H24N2O.C2H6/c1-2-13-11-3-7-14(8-4-11)12-5-9-15-10-6-12;1-2/h11-13H,2-10H2,1H3;1-2H3
InChIKeyLUIFBJLDZWQJOQ-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-1-(oxan-4-yl)piperidin-4-amine?
The IUPAC name of ethane;N-ethyl-1-(oxan-4-yl)piperidin-4-amine (CID 142345493) is ethane;N-ethyl-1-(oxan-4-yl)piperidin-4-amine.
What is the SMILES notation for ethane;N-ethyl-1-(oxan-4-yl)piperidin-4-amine?
The canonical SMILES for ethane;N-ethyl-1-(oxan-4-yl)piperidin-4-amine is CC.CCNC1CCN(C2CCOCC2)CC1.
What is the InChIKey of ethane;N-ethyl-1-(oxan-4-yl)piperidin-4-amine?
The InChIKey is LUIFBJLDZWQJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.C2H6/c1-2-13-11-3-7-14(8-4-11)12-5-9-15-10-6-12;1-2/h11-13H,2-10H2,1H3;1-2H3.
What are the key properties of ethane;N-ethyl-1-(oxan-4-yl)piperidin-4-amine?
ethane;N-ethyl-1-(oxan-4-yl)piperidin-4-amine has a molecular weight of 242.41 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-1-(oxan-4-yl)piperidin-4-amine is sourced from PubChem (CID 142345493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).