2-(5-methylidenepiperidin-3-yl)propan-2-ol

C9H17NO — CID 123237499

IUPAC2-(5-methylidenepiperidin-3-yl)propan-2-ol
SMILESC=C1CNCC(C(C)(C)O)C1
InChIInChI=1S/C9H17NO/c1-7-4-8(6-10-5-7)9(2,3)11/h8,10-11H,1,4-6H2,2-3H3
InChIKeyDWRDLMYNJONOFN-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.92
Rot. Bonds1

About 2-(5-methylidenepiperidin-3-yl)propan-2-ol

2-(5-methylidenepiperidin-3-yl)propan-2-ol (PubChem CID 123237499) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(5-methylidenepiperidin-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-methylidenepiperidin-3-yl)propan-2-ol
PubChem CID123237499
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(5-methylidenepiperidin-3-yl)propan-2-ol
SMILESC=C1CNCC(C(C)(C)O)C1
InChIInChI=1S/C9H17NO/c1-7-4-8(6-10-5-7)9(2,3)11/h8,10-11H,1,4-6H2,2-3H3
InChIKeyDWRDLMYNJONOFN-UHFFFAOYSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Piperidinyl)-2-propanol
CID 45157108
(S)-2-(piperidin-3-yl)propan-2-ol
CID 51584125
(R)-2-(piperidin-3-yl)propan-2-ol
CID 51584123
1-(4-Methylpiperidin-3-yl)ethenol
CID 58228679
1-Piperidin-3-ylethenol
CID 68343278
3-Piperidin-4-ylprop-1-en-2-ol
CID 69437068
1-[(3R)-piperidin-3-yl]ethenol
CID 70266404
2-Methyl-1-piperidin-3-ylprop-2-en-1-ol
CID 80559018
4-(2-Methylprop-2-en-1-yl)piperidin-4-ol
CID 123241473
Ethane;2-piperidin-3-ylpropan-2-ol
CID 156651489
3,5-Dimethyl-4-[2-(methylamino)ethyl]hex-1-en-2-ol
CID 166723290
1-[(5R)-5-methylpiperidin-3-yl]ethenol
CID 176954918

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylidenepiperidin-3-yl)propan-2-ol?
The IUPAC name of 2-(5-methylidenepiperidin-3-yl)propan-2-ol (CID 123237499) is 2-(5-methylidenepiperidin-3-yl)propan-2-ol.
What is the SMILES notation for 2-(5-methylidenepiperidin-3-yl)propan-2-ol?
The canonical SMILES for 2-(5-methylidenepiperidin-3-yl)propan-2-ol is C=C1CNCC(C(C)(C)O)C1.
What is the InChIKey of 2-(5-methylidenepiperidin-3-yl)propan-2-ol?
The InChIKey is DWRDLMYNJONOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-4-8(6-10-5-7)9(2,3)11/h8,10-11H,1,4-6H2,2-3H3.
What are the key properties of 2-(5-methylidenepiperidin-3-yl)propan-2-ol?
2-(5-methylidenepiperidin-3-yl)propan-2-ol has a molecular weight of 155.24 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylidenepiperidin-3-yl)propan-2-ol is sourced from PubChem (CID 123237499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).