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

C12H22N4 — CID 66119014

IUPAC2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanamine
SMILESCn1cncc1CN1CCCC(CCN)C1
InChIInChI=1S/C12H22N4/c1-15-10-14-7-12(15)9-16-6-2-3-11(8-16)4-5-13/h7,10-11H,2-6,8-9,13H2,1H3
InChIKeyZFKXWZREBMTGPR-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.98
Rot. Bonds4

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

2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanamine (PubChem CID 66119014) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanamine
PubChem CID66119014
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanamine
SMILESCn1cncc1CN1CCCC(CCN)C1
InChIInChI=1S/C12H22N4/c1-15-10-14-7-12(15)9-16-6-2-3-11(8-16)4-5-13/h7,10-11H,2-6,8-9,13H2,1H3
InChIKeyZFKXWZREBMTGPR-UHFFFAOYSA-N
XLogP0.98
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]propanoic acid
CID 97102083
2-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-3-yl]ethanamine
CID 104800887
N-[6-[[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 124980742
[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanol
CID 66141579
2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]ethanamine;dihydrochloride
CID 120728516
(3R)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperazine
CID 103885858
2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728185
N-(2-methoxyethyl)-6-[[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]methyl]pyridazin-3-amine
CID 95847136
1-[(3-methylimidazol-4-yl)methyl]azetidin-3-ol
CID 66141587
2-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
CID 64784051
2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120967190
2-[1-(2-fluoroethyl)piperidin-3-yl]ethanamine
CID 80695268

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanamine (CID 66119014) is 2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanamine is Cn1cncc1CN1CCCC(CCN)C1.
What is the InChIKey of 2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanamine?
The InChIKey is ZFKXWZREBMTGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-15-10-14-7-12(15)9-16-6-2-3-11(8-16)4-5-13/h7,10-11H,2-6,8-9,13H2,1H3.
What are the key properties of 2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanamine?
2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanamine has a molecular weight of 222.34 g/mol, XLogP of 0.98, 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]ethanamine is sourced from PubChem (CID 66119014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).