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

C12H21N3O — CID 66141774

IUPAC2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanol
SMILESCn1cncc1CN1CCCC(CCO)C1
InChIInChI=1S/C12H21N3O/c1-14-10-13-7-12(14)9-15-5-2-3-11(8-15)4-6-16/h7,10-11,16H,2-6,8-9H2,1H3
InChIKeyDIKXHUWQJJCCIF-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.01
Rot. Bonds4

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

2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanol (PubChem CID 66141774) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanol
PubChem CID66141774
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanol
SMILESCn1cncc1CN1CCCC(CCO)C1
InChIInChI=1S/C12H21N3O/c1-14-10-13-7-12(14)9-15-5-2-3-11(8-15)4-6-16/h7,10-11,16H,2-6,8-9H2,1H3
InChIKeyDIKXHUWQJJCCIF-UHFFFAOYSA-N
XLogP1.01
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanol (CID 66141774) is 2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanol is Cn1cncc1CN1CCCC(CCO)C1.
What is the InChIKey of 2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanol?
The InChIKey is DIKXHUWQJJCCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-14-10-13-7-12(14)9-15-5-2-3-11(8-15)4-6-16/h7,10-11,16H,2-6,8-9H2,1H3.
What are the key properties of 2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanol?
2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 66141774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).