2-(1-methylpiperidin-3-yl)prop-2-en-1-ol

C9H17NO — CID 117266665

IUPAC2-(1-methylpiperidin-3-yl)prop-2-en-1-ol
SMILESC=C(CO)C1CCCN(C)C1
InChIInChI=1S/C9H17NO/c1-8(7-11)9-4-3-5-10(2)6-9/h9,11H,1,3-7H2,2H3
InChIKeyVFWKEVXRKLGDFR-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.88
Rot. Bonds2

About 2-(1-methylpiperidin-3-yl)prop-2-en-1-ol

2-(1-methylpiperidin-3-yl)prop-2-en-1-ol (PubChem CID 117266665) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(1-methylpiperidin-3-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(1-methylpiperidin-3-yl)prop-2-en-1-ol
PubChem CID117266665
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(1-methylpiperidin-3-yl)prop-2-en-1-ol
SMILESC=C(CO)C1CCCN(C)C1
InChIInChI=1S/C9H17NO/c1-8(7-11)9-4-3-5-10(2)6-9/h9,11H,1,3-7H2,2H3
InChIKeyVFWKEVXRKLGDFR-UHFFFAOYSA-N
XLogP0.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Methylpiperidin-4-yl)prop-2-en-1-ol
CID 117266644
2-Methyl-1-(4-prop-1-en-2-ylpiperidin-1-yl)propan-1-ol
CID 134447411
1-(1-Methylpiperidin-4-yl)prop-2-en-1-ol
CID 144043856
2-[1-(3-Methylbut-2-enyl)piperidin-3-yl]ethanol
CID 62356826
2-[1-(2-Methylprop-2-enyl)piperidin-3-yl]ethanol
CID 62356828
2-(1-But-3-en-2-ylpiperidin-3-yl)ethanol
CID 62383456
2-(1-Pent-4-enylpiperidin-3-yl)ethanol
CID 64298333
2-(1-But-3-enylpiperidin-3-yl)ethanol
CID 64298334
[1-(2-Methylidenebutyl)piperidin-4-yl]methanol
CID 66038302
2-[1-(2-Methylidenebutyl)piperidin-3-yl]ethanol
CID 66039018
2-[1-(3-Methylhex-5-en-2-yl)piperidin-3-yl]ethanol
CID 104175760
2-(1-Hept-6-enylpiperidin-3-yl)ethanol
CID 107010094

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-3-yl)prop-2-en-1-ol?
The IUPAC name of 2-(1-methylpiperidin-3-yl)prop-2-en-1-ol (CID 117266665) is 2-(1-methylpiperidin-3-yl)prop-2-en-1-ol.
What is the SMILES notation for 2-(1-methylpiperidin-3-yl)prop-2-en-1-ol?
The canonical SMILES for 2-(1-methylpiperidin-3-yl)prop-2-en-1-ol is C=C(CO)C1CCCN(C)C1.
What is the InChIKey of 2-(1-methylpiperidin-3-yl)prop-2-en-1-ol?
The InChIKey is VFWKEVXRKLGDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(7-11)9-4-3-5-10(2)6-9/h9,11H,1,3-7H2,2H3.
What are the key properties of 2-(1-methylpiperidin-3-yl)prop-2-en-1-ol?
2-(1-methylpiperidin-3-yl)prop-2-en-1-ol has a molecular weight of 155.24 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-3-yl)prop-2-en-1-ol is sourced from PubChem (CID 117266665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).