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

C9H17NO — CID 177243003

IUPAC1-(2-methylpiperidin-1-yl)prop-2-en-1-ol
SMILESC=CC(O)N1CCCCC1C
InChIInChI=1S/C9H17NO/c1-3-9(11)10-7-5-4-6-8(10)2/h3,8-9,11H,1,4-7H2,2H3
InChIKeySCUFXLBRCDAMMP-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.37
Rot. Bonds2

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

1-(2-methylpiperidin-1-yl)prop-2-en-1-ol (PubChem CID 177243003) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)prop-2-en-1-ol
PubChem CID177243003
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(2-methylpiperidin-1-yl)prop-2-en-1-ol
SMILESC=CC(O)N1CCCCC1C
InChIInChI=1S/C9H17NO/c1-3-9(11)10-7-5-4-6-8(10)2/h3,8-9,11H,1,4-7H2,2H3
InChIKeySCUFXLBRCDAMMP-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
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

(Z)-4-piperidin-1-ylbut-2-en-1-ol
CID 10997269
(2E)-4-(1-piperidinyl)-2-buten-1-ol
CID 13116359
2-Methyl-1-prop-2-enylpiperidin-4-ol
CID 45088417
4-Piperidin-1-ylbut-2-en-1-ol
CID 54195859
(1-Butyl-2-ethenylpiperidin-1-ium-1-yl)methanol
CID 57036753
(2-Ethenyl-1-propan-2-ylpiperidin-1-ium-1-yl)methanol
CID 57190674
1-Piperidin-1-ylprop-2-en-1-ol
CID 66821434
1-(2,2,6,6-Tetramethylpiperidin-1-yl)prop-2-en-1-ol
CID 68128129
1-Piperidin-1-ylprop-2-en-1-ol;hydrochloride
CID 68145932
1-Piperidin-1-ylbut-2-en-1-ol
CID 69342629
1-(2-Prop-2-enylpiperidin-1-yl)prop-2-en-1-ol
CID 70599889
1-[1-Hydroxyprop-2-enyl(pentyl)amino]prop-2-en-1-ol
CID 87856576

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)prop-2-en-1-ol?
The IUPAC name of 1-(2-methylpiperidin-1-yl)prop-2-en-1-ol (CID 177243003) is 1-(2-methylpiperidin-1-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)prop-2-en-1-ol?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)prop-2-en-1-ol is C=CC(O)N1CCCCC1C.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)prop-2-en-1-ol?
The InChIKey is SCUFXLBRCDAMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-9(11)10-7-5-4-6-8(10)2/h3,8-9,11H,1,4-7H2,2H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)prop-2-en-1-ol?
1-(2-methylpiperidin-1-yl)prop-2-en-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)prop-2-en-1-ol is sourced from PubChem (CID 177243003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).