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

C12H21N3O — CID 115874156

IUPAC3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-ol
SMILESCc1nccn1CCN1CCCC(C)(O)C1
InChIInChI=1S/C12H21N3O/c1-11-13-5-7-15(11)9-8-14-6-3-4-12(2,16)10-14/h5,7,16H,3-4,6,8-10H2,1-2H3
InChIKeyFIJOFJSLVCCCEO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.04
Rot. Bonds3

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

3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-ol (PubChem CID 115874156) 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-3-ol.

Molecular Properties

Compound Name3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-ol
PubChem CID115874156
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-ol
SMILESCc1nccn1CCN1CCCC(C)(O)C1
InChIInChI=1S/C12H21N3O/c1-11-13-5-7-15(11)9-8-14-6-3-4-12(2,16)10-14/h5,7,16H,3-4,6,8-10H2,1-2H3
InChIKeyFIJOFJSLVCCCEO-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-Methyl-1H-imidazol-2-yl)piperidin-4-ol
CID 6483922
(1-methyl-1H-imidazol-2-yl)(piperidin-4-yl)methanol
CID 44721319
5H,6H,7H,8H-imidazo[1,2-a]pyridin-6-ol
CID 25209172
1-[1-[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]ethanol
CID 56787475
4-[(dimethylamino)methyl]-1-[(1-propyl-1H-imidazol-2-yl)methyl]-4-azepanol
CID 56901348
1-[(1-Propylimidazol-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
CID 70725281
3-(piperidin-1-ylmethyl)-1-[(1-propyl-1H-imidazol-2-yl)methyl]pyrrolidin-3-ol
CID 70776255
{3-ethyl-1-[(1-propyl-1H-imidazol-2-yl)methyl]-3-piperidinyl}methanol
CID 72878540
4-(1-methyl-1H-imidazol-2-yl)piperidin-4-ol dihydrochloride
CID 126809376
(7S,8R)-8-ethyl-5,5,6,6-tetrafluoro-7-methyl-7H-imidazo[1,2-a]pyridin-8-ol
CID 139047958
3-({4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazin-1-yl}methyl)pyrrolidin-3-ol
CID 70709275
3-(1-Methylimidazol-2-yl)pentan-3-ol
CID 63975988

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-ol?
The IUPAC name of 3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-ol (CID 115874156) is 3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-ol.
What is the SMILES notation for 3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-ol?
The canonical SMILES for 3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-ol is Cc1nccn1CCN1CCCC(C)(O)C1.
What is the InChIKey of 3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-ol?
The InChIKey is FIJOFJSLVCCCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-11-13-5-7-15(11)9-8-14-6-3-4-12(2,16)10-14/h5,7,16H,3-4,6,8-10H2,1-2H3.
What are the key properties of 3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-ol?
3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-ol has a molecular weight of 223.32 g/mol, XLogP of 1.04, 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-3-ol is sourced from PubChem (CID 115874156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).