2-(1-propan-2-ylpiperidin-2-yl)prop-2-en-1-ol

C11H21NO — CID 117266680

IUPAC2-(1-propan-2-ylpiperidin-2-yl)prop-2-en-1-ol
SMILESC=C(CO)C1CCCCN1C(C)C
InChIInChI=1S/C11H21NO/c1-9(2)12-7-5-4-6-11(12)10(3)8-13/h9,11,13H,3-8H2,1-2H3
InChIKeyQRBABKOGISOULX-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds3

About 2-(1-propan-2-ylpiperidin-2-yl)prop-2-en-1-ol

2-(1-propan-2-ylpiperidin-2-yl)prop-2-en-1-ol (PubChem CID 117266680) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(1-propan-2-ylpiperidin-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(1-propan-2-ylpiperidin-2-yl)prop-2-en-1-ol
PubChem CID117266680
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(1-propan-2-ylpiperidin-2-yl)prop-2-en-1-ol
SMILESC=C(CO)C1CCCCN1C(C)C
InChIInChI=1S/C11H21NO/c1-9(2)12-7-5-4-6-11(12)10(3)8-13/h9,11,13H,3-8H2,1-2H3
InChIKeyQRBABKOGISOULX-UHFFFAOYSA-N
XLogP1.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-propan-2-ylpiperidin-2-yl)prop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-propan-2-yl-2-prop-1-en-2-ylpyrrolidine
CID 67564463
ethane;1-propan-2-ylpiperidine-2-carboxylic acid
CID 144742898
methyl 2-(1-propan-2-ylpiperidin-2-yl)prop-2-enoate
CID 117266930
1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 59945997
ethane;2-methyl-1-propan-2-ylpiperidine
CID 143195459
2-methyl-1-propan-2-ylazepane
CID 66910895
N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide
CID 21355300
(2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine
CID 167138611
(Z)-4-(1-propan-2-ylpiperidin-2-yl)but-3-en-1-ol
CID 117267630
potassium;carbanide;ethane;ethene;2-methyl-1-(1-propan-2-ylpyrrolidin-2-yl)propan-1-one
CID 157097764
1-(1-propan-2-ylpiperidin-2-yl)propan-2-one
CID 79537839
2-methyl-5-[(2R)-2-(2-methylpropanoyl)pyrrolidin-1-yl]-1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]hexan-1-one
CID 155410208

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpiperidin-2-yl)prop-2-en-1-ol?
The IUPAC name of 2-(1-propan-2-ylpiperidin-2-yl)prop-2-en-1-ol (CID 117266680) is 2-(1-propan-2-ylpiperidin-2-yl)prop-2-en-1-ol.
What is the SMILES notation for 2-(1-propan-2-ylpiperidin-2-yl)prop-2-en-1-ol?
The canonical SMILES for 2-(1-propan-2-ylpiperidin-2-yl)prop-2-en-1-ol is C=C(CO)C1CCCCN1C(C)C.
What is the InChIKey of 2-(1-propan-2-ylpiperidin-2-yl)prop-2-en-1-ol?
The InChIKey is QRBABKOGISOULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)12-7-5-4-6-11(12)10(3)8-13/h9,11,13H,3-8H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylpiperidin-2-yl)prop-2-en-1-ol?
2-(1-propan-2-ylpiperidin-2-yl)prop-2-en-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpiperidin-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 117266680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).