(1-methyl-4-prop-2-enylpiperidin-4-yl)methanol

C10H19NO — CID 143739834

IUPAC(1-methyl-4-prop-2-enylpiperidin-4-yl)methanol
SMILESC=CCC1(CO)CCN(C)CC1
InChIInChI=1S/C10H19NO/c1-3-4-10(9-12)5-7-11(2)8-6-10/h3,12H,1,4-9H2,2H3
InChIKeyAHXJZTMYESHAPI-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.27
Rot. Bonds3

About (1-methyl-4-prop-2-enylpiperidin-4-yl)methanol

(1-methyl-4-prop-2-enylpiperidin-4-yl)methanol (PubChem CID 143739834) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (1-methyl-4-prop-2-enylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name(1-methyl-4-prop-2-enylpiperidin-4-yl)methanol
PubChem CID143739834
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(1-methyl-4-prop-2-enylpiperidin-4-yl)methanol
SMILESC=CCC1(CO)CCN(C)CC1
InChIInChI=1S/C10H19NO/c1-3-4-10(9-12)5-7-11(2)8-6-10/h3,12H,1,4-9H2,2H3
InChIKeyAHXJZTMYESHAPI-UHFFFAOYSA-N
XLogP1.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-prop-2-enylpiperidin-4-yl)methanol?
The IUPAC name of (1-methyl-4-prop-2-enylpiperidin-4-yl)methanol (CID 143739834) is (1-methyl-4-prop-2-enylpiperidin-4-yl)methanol.
What is the SMILES notation for (1-methyl-4-prop-2-enylpiperidin-4-yl)methanol?
The canonical SMILES for (1-methyl-4-prop-2-enylpiperidin-4-yl)methanol is C=CCC1(CO)CCN(C)CC1.
What is the InChIKey of (1-methyl-4-prop-2-enylpiperidin-4-yl)methanol?
The InChIKey is AHXJZTMYESHAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-10(9-12)5-7-11(2)8-6-10/h3,12H,1,4-9H2,2H3.
What are the key properties of (1-methyl-4-prop-2-enylpiperidin-4-yl)methanol?
(1-methyl-4-prop-2-enylpiperidin-4-yl)methanol has a molecular weight of 169.27 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-prop-2-enylpiperidin-4-yl)methanol is sourced from PubChem (CID 143739834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).