1-[1-(1H-imidazol-2-yl)piperidin-4-yl]prop-2-en-1-ol

C11H17N3O — CID 173242348

IUPAC1-[1-(1H-imidazol-2-yl)piperidin-4-yl]prop-2-en-1-ol
SMILESC=CC(O)C1CCN(c2ncc[nH]2)CC1
InChIInChI=1S/C11H17N3O/c1-2-10(15)9-3-7-14(8-4-9)11-12-5-6-13-11/h2,5-6,9-10,15H,1,3-4,7-8H2,(H,12,13)
InChIKeyVCWJZFKVXUNOKU-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.17
Rot. Bonds3

About 1-[1-(1H-imidazol-2-yl)piperidin-4-yl]prop-2-en-1-ol

1-[1-(1H-imidazol-2-yl)piperidin-4-yl]prop-2-en-1-ol (PubChem CID 173242348) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[1-(1H-imidazol-2-yl)piperidin-4-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[1-(1H-imidazol-2-yl)piperidin-4-yl]prop-2-en-1-ol
PubChem CID173242348
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[1-(1H-imidazol-2-yl)piperidin-4-yl]prop-2-en-1-ol
SMILESC=CC(O)C1CCN(c2ncc[nH]2)CC1
InChIInChI=1S/C11H17N3O/c1-2-10(15)9-3-7-14(8-4-9)11-12-5-6-13-11/h2,5-6,9-10,15H,1,3-4,7-8H2,(H,12,13)
InChIKeyVCWJZFKVXUNOKU-UHFFFAOYSA-N
XLogP1.17
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-imidazol-2-yl)piperidin-4-ol
CID 130831688
1-(1H-imidazol-2-yl)piperidine-4-carbaldehyde;hydrochloride
CID 175797886
7,16-bis(1H-imidazol-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 45278194
2-(3-propan-2-ylsulfanylpyrrolidin-1-yl)-1H-imidazole
CID 130920798
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-imidazole
CID 131042977
1-ethyl-4-(1H-imidazol-2-yl)-2-methylpiperazine
CID 131162497
(R)-1H-imidazol-2-yl-(1-quinoxalin-2-ylpiperidin-4-yl)methanol
CID 129447683
2-(3,3-dimethylpyrrolidin-1-yl)-1H-imidazole
CID 131137791
3-[4-(1-bromoethyl)piperidin-1-yl]-1H-pyrazin-2-one
CID 106838734
2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 166901181
[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol
CID 139010879
6-[4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 124883228

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-imidazol-2-yl)piperidin-4-yl]prop-2-en-1-ol?
The IUPAC name of 1-[1-(1H-imidazol-2-yl)piperidin-4-yl]prop-2-en-1-ol (CID 173242348) is 1-[1-(1H-imidazol-2-yl)piperidin-4-yl]prop-2-en-1-ol.
What is the SMILES notation for 1-[1-(1H-imidazol-2-yl)piperidin-4-yl]prop-2-en-1-ol?
The canonical SMILES for 1-[1-(1H-imidazol-2-yl)piperidin-4-yl]prop-2-en-1-ol is C=CC(O)C1CCN(c2ncc[nH]2)CC1.
What is the InChIKey of 1-[1-(1H-imidazol-2-yl)piperidin-4-yl]prop-2-en-1-ol?
The InChIKey is VCWJZFKVXUNOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-10(15)9-3-7-14(8-4-9)11-12-5-6-13-11/h2,5-6,9-10,15H,1,3-4,7-8H2,(H,12,13).
What are the key properties of 1-[1-(1H-imidazol-2-yl)piperidin-4-yl]prop-2-en-1-ol?
1-[1-(1H-imidazol-2-yl)piperidin-4-yl]prop-2-en-1-ol has a molecular weight of 207.28 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-imidazol-2-yl)piperidin-4-yl]prop-2-en-1-ol is sourced from PubChem (CID 173242348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).