1-[1-(2-imidazol-1-ylethyl)piperidin-3-yl]ethanamine

C12H22N4 — CID 63848734

IUPAC1-[1-(2-imidazol-1-ylethyl)piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(CCn2ccnc2)C1
InChIInChI=1S/C12H22N4/c1-11(13)12-3-2-5-15(9-12)7-8-16-6-4-14-10-16/h4,6,10-12H,2-3,5,7-9,13H2,1H3
InChIKeyCDNZBDGSALXSSJ-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.94
Rot. Bonds4

About 1-[1-(2-imidazol-1-ylethyl)piperidin-3-yl]ethanamine

1-[1-(2-imidazol-1-ylethyl)piperidin-3-yl]ethanamine (PubChem CID 63848734) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-[1-(2-imidazol-1-ylethyl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-imidazol-1-ylethyl)piperidin-3-yl]ethanamine
PubChem CID63848734
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-[1-(2-imidazol-1-ylethyl)piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(CCn2ccnc2)C1
InChIInChI=1S/C12H22N4/c1-11(13)12-3-2-5-15(9-12)7-8-16-6-4-14-10-16/h4,6,10-12H,2-3,5,7-9,13H2,1H3
InChIKeyCDNZBDGSALXSSJ-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]ethanol
CID 112628258
1-(2-pyrrolidin-1-ylethyl)imidazole
CID 19964498
(3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine
CID 94340676
1-[1-(2-cyclopentylethyl)piperidin-3-yl]ethanamine
CID 119925718
[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]methanamine
CID 61462956
[1-(2-imidazol-1-ylethyl)-4-methylpiperidin-3-yl]methanamine
CID 114961289
[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine
CID 61493085
(3S)-N-cyclopentyl-1-(2-imidazol-1-ylethyl)piperidine-3-sulfonamide
CID 124616926
1-[2-[3-(1-aminoethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82898009
4-[(3R)-1-(2-imidazol-1-ylethyl)piperidin-3-yl]sulfonylmorpholine
CID 124885146
1-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]ethanamine
CID 115512948
1-cyclohexyl-4-[1-(2-imidazol-1-ylethyl)azetidin-3-yl]piperazine
CID 126892681

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-imidazol-1-ylethyl)piperidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(2-imidazol-1-ylethyl)piperidin-3-yl]ethanamine (CID 63848734) is 1-[1-(2-imidazol-1-ylethyl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-imidazol-1-ylethyl)piperidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(2-imidazol-1-ylethyl)piperidin-3-yl]ethanamine is CC(N)C1CCCN(CCn2ccnc2)C1.
What is the InChIKey of 1-[1-(2-imidazol-1-ylethyl)piperidin-3-yl]ethanamine?
The InChIKey is CDNZBDGSALXSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-11(13)12-3-2-5-15(9-12)7-8-16-6-4-14-10-16/h4,6,10-12H,2-3,5,7-9,13H2,1H3.
What are the key properties of 1-[1-(2-imidazol-1-ylethyl)piperidin-3-yl]ethanamine?
1-[1-(2-imidazol-1-ylethyl)piperidin-3-yl]ethanamine has a molecular weight of 222.34 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-imidazol-1-ylethyl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 63848734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).