(3R)-1-[[(2S)-oxiran-2-yl]methyl]-3-(2-propan-2-ylimidazol-1-yl)piperidine

C14H23N3O — CID 124845147

IUPAC(3R)-1-[[(2S)-oxiran-2-yl]methyl]-3-(2-propan-2-ylimidazol-1-yl)piperidine
SMILESCC(C)c1nccn1[C@@H]1CCCN(C[C@H]2CO2)C1
InChIInChI=1S/C14H23N3O/c1-11(2)14-15-5-7-17(14)12-4-3-6-16(8-12)9-13-10-18-13/h5,7,11-13H,3-4,6,8-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyDZALLZYRMODTAK-OLZOCXBDSA-N
MW249.36 g/mol
LogP2.04
Rot. Bonds4

About (3R)-1-[[(2S)-oxiran-2-yl]methyl]-3-(2-propan-2-ylimidazol-1-yl)piperidine

(3R)-1-[[(2S)-oxiran-2-yl]methyl]-3-(2-propan-2-ylimidazol-1-yl)piperidine (PubChem CID 124845147) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (3R)-1-[[(2S)-oxiran-2-yl]methyl]-3-(2-propan-2-ylimidazol-1-yl)piperidine.

Molecular Properties

Compound Name(3R)-1-[[(2S)-oxiran-2-yl]methyl]-3-(2-propan-2-ylimidazol-1-yl)piperidine
PubChem CID124845147
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(3R)-1-[[(2S)-oxiran-2-yl]methyl]-3-(2-propan-2-ylimidazol-1-yl)piperidine
SMILESCC(C)c1nccn1[C@@H]1CCCN(C[C@H]2CO2)C1
InChIInChI=1S/C14H23N3O/c1-11(2)14-15-5-7-17(14)12-4-3-6-16(8-12)9-13-10-18-13/h5,7,11-13H,3-4,6,8-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyDZALLZYRMODTAK-OLZOCXBDSA-N
XLogP2.04
TPSA33.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-[(2S)-oxolan-2-yl]-1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95352561
[(2R)-oxolan-2-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95349495
(2R)-2-morpholin-4-yl-1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95337848
[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95336356
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95736318
[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone
CID 95353974
1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 95606682
1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 95606683
1-(1-cyclohexylimidazol-2-yl)ethanol
CID 169132500
2H-benzotriazol-5-yl-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343023
2H-benzotriazol-5-yl-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343024
1-(azetidin-3-yl)-2-propan-2-ylimidazole
CID 62786118

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[(2S)-oxiran-2-yl]methyl]-3-(2-propan-2-ylimidazol-1-yl)piperidine?
The IUPAC name of (3R)-1-[[(2S)-oxiran-2-yl]methyl]-3-(2-propan-2-ylimidazol-1-yl)piperidine (CID 124845147) is (3R)-1-[[(2S)-oxiran-2-yl]methyl]-3-(2-propan-2-ylimidazol-1-yl)piperidine.
What is the SMILES notation for (3R)-1-[[(2S)-oxiran-2-yl]methyl]-3-(2-propan-2-ylimidazol-1-yl)piperidine?
The canonical SMILES for (3R)-1-[[(2S)-oxiran-2-yl]methyl]-3-(2-propan-2-ylimidazol-1-yl)piperidine is CC(C)c1nccn1[C@@H]1CCCN(C[C@H]2CO2)C1.
What is the InChIKey of (3R)-1-[[(2S)-oxiran-2-yl]methyl]-3-(2-propan-2-ylimidazol-1-yl)piperidine?
The InChIKey is DZALLZYRMODTAK-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)14-15-5-7-17(14)12-4-3-6-16(8-12)9-13-10-18-13/h5,7,11-13H,3-4,6,8-10H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (3R)-1-[[(2S)-oxiran-2-yl]methyl]-3-(2-propan-2-ylimidazol-1-yl)piperidine?
(3R)-1-[[(2S)-oxiran-2-yl]methyl]-3-(2-propan-2-ylimidazol-1-yl)piperidine has a molecular weight of 249.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[(2S)-oxiran-2-yl]methyl]-3-(2-propan-2-ylimidazol-1-yl)piperidine is sourced from PubChem (CID 124845147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).