[(2S,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine

C13H22N4 — CID 122152459

IUPAC[(2S,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine
SMILESCn1cncc1[C@@H]1[C@@H](CN)CCCN1C1CC1
InChIInChI=1S/C13H22N4/c1-16-9-15-8-12(16)13-10(7-14)3-2-6-17(13)11-4-5-11/h8-11,13H,2-7,14H2,1H3/t10-,13+/m1/s1
InChIKeyZOZIDWDWOURKED-MFKMUULPSA-N
MW234.35 g/mol
LogP1.29
Rot. Bonds3

About [(2S,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine

[(2S,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine (PubChem CID 122152459) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is [(2S,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[(2S,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine
PubChem CID122152459
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name[(2S,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine
SMILESCn1cncc1[C@@H]1[C@@H](CN)CCCN1C1CC1
InChIInChI=1S/C13H22N4/c1-16-9-15-8-12(16)13-10(7-14)3-2-6-17(13)11-4-5-11/h8-11,13H,2-7,14H2,1H3/t10-,13+/m1/s1
InChIKeyZOZIDWDWOURKED-MFKMUULPSA-N
XLogP1.29
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine?
The IUPAC name of [(2S,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine (CID 122152459) is [(2S,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for [(2S,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine?
The canonical SMILES for [(2S,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine is Cn1cncc1[C@@H]1[C@@H](CN)CCCN1C1CC1.
What is the InChIKey of [(2S,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine?
The InChIKey is ZOZIDWDWOURKED-MFKMUULPSA-N. The full InChI is InChI=1S/C13H22N4/c1-16-9-15-8-12(16)13-10(7-14)3-2-6-17(13)11-4-5-11/h8-11,13H,2-7,14H2,1H3/t10-,13+/m1/s1.
What are the key properties of [(2S,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine?
[(2S,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine has a molecular weight of 234.35 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 122152459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).