ethane;(1-prop-1-en-2-ylpiperidin-2-yl)methanol

C11H23NO — CID 163219762

IUPACethane;(1-prop-1-en-2-ylpiperidin-2-yl)methanol
SMILESC=C(C)N1CCCCC1CO.CC
InChIInChI=1S/C9H17NO.C2H6/c1-8(2)10-6-4-3-5-9(10)7-11;1-2/h9,11H,1,3-7H2,2H3;1-2H3
InChIKeyXAZZDLYBMHUJOW-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.39
Rot. Bonds2

About ethane;(1-prop-1-en-2-ylpiperidin-2-yl)methanol

ethane;(1-prop-1-en-2-ylpiperidin-2-yl)methanol (PubChem CID 163219762) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is ethane;(1-prop-1-en-2-ylpiperidin-2-yl)methanol.

Molecular Properties

Compound Nameethane;(1-prop-1-en-2-ylpiperidin-2-yl)methanol
PubChem CID163219762
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nameethane;(1-prop-1-en-2-ylpiperidin-2-yl)methanol
SMILESC=C(C)N1CCCCC1CO.CC
InChIInChI=1S/C9H17NO.C2H6/c1-8(2)10-6-4-3-5-9(10)7-11;1-2/h9,11H,1,3-7H2,2H3;1-2H3
InChIKeyXAZZDLYBMHUJOW-UHFFFAOYSA-N
XLogP2.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(1-prop-1-en-2-ylpiperidin-2-yl)methanol?
The IUPAC name of ethane;(1-prop-1-en-2-ylpiperidin-2-yl)methanol (CID 163219762) is ethane;(1-prop-1-en-2-ylpiperidin-2-yl)methanol.
What is the SMILES notation for ethane;(1-prop-1-en-2-ylpiperidin-2-yl)methanol?
The canonical SMILES for ethane;(1-prop-1-en-2-ylpiperidin-2-yl)methanol is C=C(C)N1CCCCC1CO.CC.
What is the InChIKey of ethane;(1-prop-1-en-2-ylpiperidin-2-yl)methanol?
The InChIKey is XAZZDLYBMHUJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C2H6/c1-8(2)10-6-4-3-5-9(10)7-11;1-2/h9,11H,1,3-7H2,2H3;1-2H3.
What are the key properties of ethane;(1-prop-1-en-2-ylpiperidin-2-yl)methanol?
ethane;(1-prop-1-en-2-ylpiperidin-2-yl)methanol has a molecular weight of 185.31 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1-prop-1-en-2-ylpiperidin-2-yl)methanol is sourced from PubChem (CID 163219762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).