(1R)-1-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]propan-1-amine

C12H22N4 — CID 104942372

IUPAC(1R)-1-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1C1CCCN(C)C1
InChIInChI=1S/C12H22N4/c1-3-11(13)12-7-14-9-16(12)10-5-4-6-15(2)8-10/h7,9-11H,3-6,8,13H2,1-2H3/t10?,11-/m1/s1
InChIKeyNLGNPVQUHJKCSA-RRKGBCIJSA-N
MW222.34 g/mol
LogP1.56
Rot. Bonds3

About (1R)-1-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]propan-1-amine

(1R)-1-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]propan-1-amine (PubChem CID 104942372) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is (1R)-1-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]propan-1-amine
PubChem CID104942372
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name(1R)-1-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1C1CCCN(C)C1
InChIInChI=1S/C12H22N4/c1-3-11(13)12-7-14-9-16(12)10-5-4-6-15(2)8-10/h7,9-11H,3-6,8,13H2,1-2H3/t10?,11-/m1/s1
InChIKeyNLGNPVQUHJKCSA-RRKGBCIJSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]propan-1-amine (CID 104942372) is (1R)-1-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]propan-1-amine is CC[C@@H](N)c1cncn1C1CCCN(C)C1.
What is the InChIKey of (1R)-1-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]propan-1-amine?
The InChIKey is NLGNPVQUHJKCSA-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-11(13)12-7-14-9-16(12)10-5-4-6-15(2)8-10/h7,9-11H,3-6,8,13H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of (1R)-1-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]propan-1-amine?
(1R)-1-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]propan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(1-methylpiperidin-3-yl)imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 104942372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).