(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol

C11H19N3O — CID 107226188

IUPAC(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol
SMILESCCn1ccnc1CN1CCC[C@H](O)C1
InChIInChI=1S/C11H19N3O/c1-2-14-7-5-12-11(14)9-13-6-3-4-10(15)8-13/h5,7,10,15H,2-4,6,8-9H2,1H3/t10-/m0/s1
InChIKeyCOTWWYYSTJSXEP-JTQLQIEISA-N
MW209.29 g/mol
LogP0.86
Rot. Bonds3

About (3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol

(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol (PubChem CID 107226188) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol
PubChem CID107226188
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol
SMILESCCn1ccnc1CN1CCC[C@H](O)C1
InChIInChI=1S/C11H19N3O/c1-2-14-7-5-12-11(14)9-13-6-3-4-10(15)8-13/h5,7,10,15H,2-4,6,8-9H2,1H3/t10-/m0/s1
InChIKeyCOTWWYYSTJSXEP-JTQLQIEISA-N
XLogP0.86
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methanol
CID 62735695
1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62736422
(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine
CID 94576709
1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 62736236
N-[[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 63848659
3-ethyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine
CID 81460655
2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(4-fluorophenyl)pyridine
CID 95810617
2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 95810615
[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone
CID 45232578
N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-3,5-dimethoxybenzamide
CID 42098387
(4aS,8aR)-1-[(1-ethylimidazol-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 100901496
[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 45195158

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol (CID 107226188) is (3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol is CCn1ccnc1CN1CCC[C@H](O)C1.
What is the InChIKey of (3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol?
The InChIKey is COTWWYYSTJSXEP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-14-7-5-12-11(14)9-13-6-3-4-10(15)8-13/h5,7,10,15H,2-4,6,8-9H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol?
(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol has a molecular weight of 209.29 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 107226188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).