(3R)-1-(1-cyclopropylimidazol-2-yl)piperidin-3-amine

C11H18N4 — CID 106553830

IUPAC(3R)-1-(1-cyclopropylimidazol-2-yl)piperidin-3-amine
SMILESN[C@@H]1CCCN(c2nccn2C2CC2)C1
InChIInChI=1S/C11H18N4/c12-9-2-1-6-14(8-9)11-13-5-7-15(11)10-3-4-10/h5,7,9-10H,1-4,6,8,12H2/t9-/m1/s1
InChIKeyHEJOOCZVOQWTPN-SECBINFHSA-N
MW206.29 g/mol
LogP1.15
Rot. Bonds2

About (3R)-1-(1-cyclopropylimidazol-2-yl)piperidin-3-amine

(3R)-1-(1-cyclopropylimidazol-2-yl)piperidin-3-amine (PubChem CID 106553830) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is (3R)-1-(1-cyclopropylimidazol-2-yl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(1-cyclopropylimidazol-2-yl)piperidin-3-amine
PubChem CID106553830
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name(3R)-1-(1-cyclopropylimidazol-2-yl)piperidin-3-amine
SMILESN[C@@H]1CCCN(c2nccn2C2CC2)C1
InChIInChI=1S/C11H18N4/c12-9-2-1-6-14(8-9)11-13-5-7-15(11)10-3-4-10/h5,7,9-10H,1-4,6,8,12H2/t9-/m1/s1
InChIKeyHEJOOCZVOQWTPN-SECBINFHSA-N
XLogP1.15
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-cyclopropylimidazol-2-yl)piperidin-3-amine?
The IUPAC name of (3R)-1-(1-cyclopropylimidazol-2-yl)piperidin-3-amine (CID 106553830) is (3R)-1-(1-cyclopropylimidazol-2-yl)piperidin-3-amine.
What is the SMILES notation for (3R)-1-(1-cyclopropylimidazol-2-yl)piperidin-3-amine?
The canonical SMILES for (3R)-1-(1-cyclopropylimidazol-2-yl)piperidin-3-amine is N[C@@H]1CCCN(c2nccn2C2CC2)C1.
What is the InChIKey of (3R)-1-(1-cyclopropylimidazol-2-yl)piperidin-3-amine?
The InChIKey is HEJOOCZVOQWTPN-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N4/c12-9-2-1-6-14(8-9)11-13-5-7-15(11)10-3-4-10/h5,7,9-10H,1-4,6,8,12H2/t9-/m1/s1.
What are the key properties of (3R)-1-(1-cyclopropylimidazol-2-yl)piperidin-3-amine?
(3R)-1-(1-cyclopropylimidazol-2-yl)piperidin-3-amine has a molecular weight of 206.29 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-cyclopropylimidazol-2-yl)piperidin-3-amine is sourced from PubChem (CID 106553830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).