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

C12H21N3O — CID 102959658

IUPAC4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-3-ol
SMILESCC1CCN(CCc2nccn2C)CC1O
InChIInChI=1S/C12H21N3O/c1-10-3-6-15(9-11(10)16)7-4-12-13-5-8-14(12)2/h5,8,10-11,16H,3-4,6-7,9H2,1-2H3
InChIKeyJCKAYIKFEYRXJN-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.67
Rot. Bonds3

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

4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-3-ol (PubChem CID 102959658) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-3-ol
PubChem CID102959658
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-3-ol
SMILESCC1CCN(CCc2nccn2C)CC1O
InChIInChI=1S/C12H21N3O/c1-10-3-6-15(9-11(10)16)7-4-12-13-5-8-14(12)2/h5,8,10-11,16H,3-4,6-7,9H2,1-2H3
InChIKeyJCKAYIKFEYRXJN-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine
CID 114526097
4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 114531735
2-(chloromethyl)-4-[2-(1-methylimidazol-2-yl)ethyl]morpholine
CID 114531807
1-[2-(1-methylimidazol-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine
CID 134698250
1-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 126899618
4-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol
CID 103898506
4-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol
CID 114531125
(3S,4R)-1-[2-(1-methylimidazol-2-yl)ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 135120600
1-(3-bromopropyl)-4-methylpiperidin-3-ol
CID 102964330
1-[2-(3-aminopyrazol-1-yl)ethyl]-4-methylpiperidin-3-ol
CID 102955985
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
N,6-dimethyl-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889453

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-3-ol?
The IUPAC name of 4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-3-ol (CID 102959658) is 4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-3-ol.
What is the SMILES notation for 4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-3-ol?
The canonical SMILES for 4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-3-ol is CC1CCN(CCc2nccn2C)CC1O.
What is the InChIKey of 4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-3-ol?
The InChIKey is JCKAYIKFEYRXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-3-6-15(9-11(10)16)7-4-12-13-5-8-14(12)2/h5,8,10-11,16H,3-4,6-7,9H2,1-2H3.
What are the key properties of 4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-3-ol?
4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-3-ol has a molecular weight of 223.32 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-3-ol is sourced from PubChem (CID 102959658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).