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

C12H22N4 — CID 66118605

IUPAC1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(Cc2cncn2C)CC1
InChIInChI=1S/C12H22N4/c1-10(13)11-3-5-16(6-4-11)8-12-7-14-9-15(12)2/h7,9-11H,3-6,8,13H2,1-2H3
InChIKeyRVZJLEFBPVMPHM-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.98
Rot. Bonds3

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

1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]ethanamine (PubChem CID 66118605) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]ethanamine
PubChem CID66118605
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(Cc2cncn2C)CC1
InChIInChI=1S/C12H22N4/c1-10(13)11-3-5-16(6-4-11)8-12-7-14-9-15(12)2/h7,9-11H,3-6,8,13H2,1-2H3
InChIKeyRVZJLEFBPVMPHM-UHFFFAOYSA-N
XLogP0.98
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]ethanamine (CID 66118605) is 1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]ethanamine is CC(N)C1CCN(Cc2cncn2C)CC1.
What is the InChIKey of 1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is RVZJLEFBPVMPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(13)11-3-5-16(6-4-11)8-12-7-14-9-15(12)2/h7,9-11H,3-6,8,13H2,1-2H3.
What are the key properties of 1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]ethanamine?
1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 222.34 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 66118605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).