ethane;1-[(2S,5R)-5-methyl-1-prop-1-en-2-ylpiperidin-2-yl]ethanone

C13H25NO — CID 145309325

IUPACethane;1-[(2S,5R)-5-methyl-1-prop-1-en-2-ylpiperidin-2-yl]ethanone
SMILESC=C(C)N1C[C@H](C)CC[C@H]1C(C)=O.CC
InChIInChI=1S/C11H19NO.C2H6/c1-8(2)12-7-9(3)5-6-11(12)10(4)13;1-2/h9,11H,1,5-7H2,2-4H3;1-2H3/t9-,11+;/m1./s1
InChIKeyYXWASTUSMKTWLB-XQKZEKTMSA-N
MW211.35 g/mol
LogP3.24
Rot. Bonds2

About ethane;1-[(2S,5R)-5-methyl-1-prop-1-en-2-ylpiperidin-2-yl]ethanone

ethane;1-[(2S,5R)-5-methyl-1-prop-1-en-2-ylpiperidin-2-yl]ethanone (PubChem CID 145309325) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is ethane;1-[(2S,5R)-5-methyl-1-prop-1-en-2-ylpiperidin-2-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[(2S,5R)-5-methyl-1-prop-1-en-2-ylpiperidin-2-yl]ethanone
PubChem CID145309325
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Nameethane;1-[(2S,5R)-5-methyl-1-prop-1-en-2-ylpiperidin-2-yl]ethanone
SMILESC=C(C)N1C[C@H](C)CC[C@H]1C(C)=O.CC
InChIInChI=1S/C11H19NO.C2H6/c1-8(2)12-7-9(3)5-6-11(12)10(4)13;1-2/h9,11H,1,5-7H2,2-4H3;1-2H3/t9-,11+;/m1./s1
InChIKeyYXWASTUSMKTWLB-XQKZEKTMSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[(2S,5R)-5-methyl-1-prop-1-en-2-ylpiperidin-2-yl]ethanone?
The IUPAC name of ethane;1-[(2S,5R)-5-methyl-1-prop-1-en-2-ylpiperidin-2-yl]ethanone (CID 145309325) is ethane;1-[(2S,5R)-5-methyl-1-prop-1-en-2-ylpiperidin-2-yl]ethanone.
What is the SMILES notation for ethane;1-[(2S,5R)-5-methyl-1-prop-1-en-2-ylpiperidin-2-yl]ethanone?
The canonical SMILES for ethane;1-[(2S,5R)-5-methyl-1-prop-1-en-2-ylpiperidin-2-yl]ethanone is C=C(C)N1C[C@H](C)CC[C@H]1C(C)=O.CC.
What is the InChIKey of ethane;1-[(2S,5R)-5-methyl-1-prop-1-en-2-ylpiperidin-2-yl]ethanone?
The InChIKey is YXWASTUSMKTWLB-XQKZEKTMSA-N. The full InChI is InChI=1S/C11H19NO.C2H6/c1-8(2)12-7-9(3)5-6-11(12)10(4)13;1-2/h9,11H,1,5-7H2,2-4H3;1-2H3/t9-,11+;/m1./s1.
What are the key properties of ethane;1-[(2S,5R)-5-methyl-1-prop-1-en-2-ylpiperidin-2-yl]ethanone?
ethane;1-[(2S,5R)-5-methyl-1-prop-1-en-2-ylpiperidin-2-yl]ethanone has a molecular weight of 211.35 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2S,5R)-5-methyl-1-prop-1-en-2-ylpiperidin-2-yl]ethanone is sourced from PubChem (CID 145309325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).