3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-ol

C12H21N3O — CID 114502459

IUPAC3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-ol
SMILESCc1nccn1CCN1CCC(O)C(C)C1
InChIInChI=1S/C12H21N3O/c1-10-9-14(5-3-12(10)16)7-8-15-6-4-13-11(15)2/h4,6,10,12,16H,3,5,7-9H2,1-2H3
InChIKeyGZYFVPINCCNVSB-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.89
Rot. Bonds3

About 3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-ol

3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-ol (PubChem CID 114502459) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-ol
PubChem CID114502459
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-ol
SMILESCc1nccn1CCN1CCC(O)C(C)C1
InChIInChI=1S/C12H21N3O/c1-10-9-14(5-3-12(10)16)7-8-15-6-4-13-11(15)2/h4,6,10,12,16H,3,5,7-9H2,1-2H3
InChIKeyGZYFVPINCCNVSB-UHFFFAOYSA-N
XLogP0.89
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 61225679
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carbaldehyde
CID 62656814
4-(1-chloroethyl)-1-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 106838160
3-cyclohexyl-1-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepane
CID 64870713
1-[1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-3-yl]piperazine
CID 66197162
ethyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxylate
CID 62026889
2-methyl-N-[[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-yl]methyl]propan-2-amine
CID 62592405
N-[[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-yl]methyl]propan-2-amine
CID 62592921
1-methyl-4-[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]piperidine
CID 56861899
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533655
4-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]azepan-4-ol
CID 107408049
3-methyl-1-[2-(methylamino)ethyl]piperidin-4-ol
CID 114681093

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-ol?
The IUPAC name of 3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-ol (CID 114502459) is 3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-ol.
What is the SMILES notation for 3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-ol?
The canonical SMILES for 3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-ol is Cc1nccn1CCN1CCC(O)C(C)C1.
What is the InChIKey of 3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-ol?
The InChIKey is GZYFVPINCCNVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-9-14(5-3-12(10)16)7-8-15-6-4-13-11(15)2/h4,6,10,12,16H,3,5,7-9H2,1-2H3.
What are the key properties of 3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-ol?
3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-ol has a molecular weight of 223.32 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-ol is sourced from PubChem (CID 114502459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).