(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine

C11H20N4 — CID 94576709

IUPAC(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine
SMILESCCn1ccnc1CN1CCC[C@@H](N)C1
InChIInChI=1S/C11H20N4/c1-2-15-7-5-13-11(15)9-14-6-3-4-10(12)8-14/h5,7,10H,2-4,6,8-9,12H2,1H3/t10-/m1/s1
InChIKeyBHVSYOPREYCQSP-SNVBAGLBSA-N
MW208.31 g/mol
LogP0.83
Rot. Bonds3

About (3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine

(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine (PubChem CID 94576709) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is (3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine
PubChem CID94576709
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine
SMILESCCn1ccnc1CN1CCC[C@@H](N)C1
InChIInChI=1S/C11H20N4/c1-2-15-7-5-13-11(15)9-14-6-3-4-10(12)8-14/h5,7,10H,2-4,6,8-9,12H2,1H3/t10-/m1/s1
InChIKeyBHVSYOPREYCQSP-SNVBAGLBSA-N
XLogP0.83
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 62736236
[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methanol
CID 62735695
1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62736422
(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol
CID 107226188
N-[[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 63848659
3-ethyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine
CID 81460655
1-[(1-ethylimidazol-2-yl)methyl]-3-[2-(3-methoxyphenyl)ethyl]piperidine
CID 45199047
1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidin-4-amine
CID 115313237
N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-3,5-dimethoxybenzamide
CID 42098387
2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(4-fluorophenyl)pyridine
CID 95810617
(4aS,8aR)-1-[(1-ethylimidazol-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 100901496
2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 95810615

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine?
The IUPAC name of (3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine (CID 94576709) is (3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine is CCn1ccnc1CN1CCC[C@@H](N)C1.
What is the InChIKey of (3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine?
The InChIKey is BHVSYOPREYCQSP-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20N4/c1-2-15-7-5-13-11(15)9-14-6-3-4-10(12)8-14/h5,7,10H,2-4,6,8-9,12H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine?
(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine has a molecular weight of 208.31 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 94576709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).