1-[1-(1-cyclopropylimidazol-2-yl)piperidin-4-yl]-N-methylmethanamine

C13H22N4 — CID 106552650

IUPAC1-[1-(1-cyclopropylimidazol-2-yl)piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2nccn2C2CC2)CC1
InChIInChI=1S/C13H22N4/c1-14-10-11-4-7-16(8-5-11)13-15-6-9-17(13)12-2-3-12/h6,9,11-12,14H,2-5,7-8,10H2,1H3
InChIKeyJVBXCDVHPVUQEK-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.65
Rot. Bonds4

About 1-[1-(1-cyclopropylimidazol-2-yl)piperidin-4-yl]-N-methylmethanamine

1-[1-(1-cyclopropylimidazol-2-yl)piperidin-4-yl]-N-methylmethanamine (PubChem CID 106552650) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-[1-(1-cyclopropylimidazol-2-yl)piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(1-cyclopropylimidazol-2-yl)piperidin-4-yl]-N-methylmethanamine
PubChem CID106552650
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1-[1-(1-cyclopropylimidazol-2-yl)piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2nccn2C2CC2)CC1
InChIInChI=1S/C13H22N4/c1-14-10-11-4-7-16(8-5-11)13-15-6-9-17(13)12-2-3-12/h6,9,11-12,14H,2-5,7-8,10H2,1H3
InChIKeyJVBXCDVHPVUQEK-UHFFFAOYSA-N
XLogP1.65
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclopropylimidazol-2-yl)piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(1-cyclopropylimidazol-2-yl)piperidin-4-yl]-N-methylmethanamine (CID 106552650) is 1-[1-(1-cyclopropylimidazol-2-yl)piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(1-cyclopropylimidazol-2-yl)piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(1-cyclopropylimidazol-2-yl)piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(c2nccn2C2CC2)CC1.
What is the InChIKey of 1-[1-(1-cyclopropylimidazol-2-yl)piperidin-4-yl]-N-methylmethanamine?
The InChIKey is JVBXCDVHPVUQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-14-10-11-4-7-16(8-5-11)13-15-6-9-17(13)12-2-3-12/h6,9,11-12,14H,2-5,7-8,10H2,1H3.
What are the key properties of 1-[1-(1-cyclopropylimidazol-2-yl)piperidin-4-yl]-N-methylmethanamine?
1-[1-(1-cyclopropylimidazol-2-yl)piperidin-4-yl]-N-methylmethanamine has a molecular weight of 234.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclopropylimidazol-2-yl)piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 106552650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).