1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride

C12H23ClN4 — CID 120848543

IUPAC1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)CN1CCC(c2cnc[nH]2)CC1.Cl
InChIInChI=1S/C12H22N4.ClH/c1-12(2,13)8-16-5-3-10(4-6-16)11-7-14-9-15-11;/h7,9-10H,3-6,8,13H2,1-2H3,(H,14,15);1H
InChIKeyUBYODUMWMMLNAT-UHFFFAOYSA-N
MW258.80 g/mol
LogP1.75
Rot. Bonds3

About 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride

1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride (PubChem CID 120848543) has the molecular formula C12H23ClN4 and a molecular weight of 258.80 g/mol. Its IUPAC name is 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
PubChem CID120848543
Molecular FormulaC12H23ClN4
Molecular Weight258.80 g/mol
Exact Mass258.16
IUPAC Name1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)CN1CCC(c2cnc[nH]2)CC1.Cl
InChIInChI=1S/C12H22N4.ClH/c1-12(2,13)8-16-5-3-10(4-6-16)11-7-14-9-15-11;/h7,9-10H,3-6,8,13H2,1-2H3,(H,14,15);1H
InChIKeyUBYODUMWMMLNAT-UHFFFAOYSA-N
XLogP1.75
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.80
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride (CID 120848543) is 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride is CC(C)(N)CN1CCC(c2cnc[nH]2)CC1.Cl.
What is the InChIKey of 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride?
The InChIKey is UBYODUMWMMLNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4.ClH/c1-12(2,13)8-16-5-3-10(4-6-16)11-7-14-9-15-11;/h7,9-10H,3-6,8,13H2,1-2H3,(H,14,15);1H.
What are the key properties of 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride?
1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride has a molecular weight of 258.80 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 120848543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).