1-(1-methylimidazol-2-yl)piperidin-4-amine

C9H16N4 — CID 62131475

IUPAC1-(1-methylimidazol-2-yl)piperidin-4-amine
SMILESCn1ccnc1N1CCC(N)CC1
InChIInChI=1S/C9H16N4/c1-12-7-4-11-9(12)13-5-2-8(10)3-6-13/h4,7-8H,2-3,5-6,10H2,1H3
InChIKeyNXRBGAITLVNBCF-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.35
Rot. Bonds1

About 1-(1-methylimidazol-2-yl)piperidin-4-amine

1-(1-methylimidazol-2-yl)piperidin-4-amine (PubChem CID 62131475) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)piperidin-4-amine
PubChem CID62131475
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-(1-methylimidazol-2-yl)piperidin-4-amine
SMILESCn1ccnc1N1CCC(N)CC1
InChIInChI=1S/C9H16N4/c1-12-7-4-11-9(12)13-5-2-8(10)3-6-13/h4,7-8H,2-3,5-6,10H2,1H3
InChIKeyNXRBGAITLVNBCF-UHFFFAOYSA-N
XLogP0.35
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)piperidin-4-amine?
The IUPAC name of 1-(1-methylimidazol-2-yl)piperidin-4-amine (CID 62131475) is 1-(1-methylimidazol-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)piperidin-4-amine?
The canonical SMILES for 1-(1-methylimidazol-2-yl)piperidin-4-amine is Cn1ccnc1N1CCC(N)CC1.
What is the InChIKey of 1-(1-methylimidazol-2-yl)piperidin-4-amine?
The InChIKey is NXRBGAITLVNBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-12-7-4-11-9(12)13-5-2-8(10)3-6-13/h4,7-8H,2-3,5-6,10H2,1H3.
What are the key properties of 1-(1-methylimidazol-2-yl)piperidin-4-amine?
1-(1-methylimidazol-2-yl)piperidin-4-amine has a molecular weight of 180.25 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)piperidin-4-amine is sourced from PubChem (CID 62131475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).