4-(1-methylimidazol-2-yl)piperidin-4-ol;dihydrochloride

C9H17Cl2N3O — CID 126809376

IUPAC4-(1-methylimidazol-2-yl)piperidin-4-ol;dihydrochloride
SMILESCl.Cl.Cn1ccnc1C1(O)CCNCC1
InChIInChI=1S/C9H15N3O.2ClH/c1-12-7-6-11-8(12)9(13)2-4-10-5-3-9;;/h6-7,10,13H,2-5H2,1H3;2*1H
InChIKeyMFXMGHURJVOUGN-UHFFFAOYSA-N
MW254.16 g/mol
LogP0.83
Rot. Bonds1

About 4-(1-methylimidazol-2-yl)piperidin-4-ol;dihydrochloride

4-(1-methylimidazol-2-yl)piperidin-4-ol;dihydrochloride (PubChem CID 126809376) has the molecular formula C9H17Cl2N3O and a molecular weight of 254.16 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)piperidin-4-ol;dihydrochloride.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)piperidin-4-ol;dihydrochloride
PubChem CID126809376
Molecular FormulaC9H17Cl2N3O
Molecular Weight254.16 g/mol
Exact Mass253.07
IUPAC Name4-(1-methylimidazol-2-yl)piperidin-4-ol;dihydrochloride
SMILESCl.Cl.Cn1ccnc1C1(O)CCNCC1
InChIInChI=1S/C9H15N3O.2ClH/c1-12-7-6-11-8(12)9(13)2-4-10-5-3-9;;/h6-7,10,13H,2-5H2,1H3;2*1H
InChIKeyMFXMGHURJVOUGN-UHFFFAOYSA-N
XLogP0.83
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)piperidin-4-ol;dihydrochloride?
The IUPAC name of 4-(1-methylimidazol-2-yl)piperidin-4-ol;dihydrochloride (CID 126809376) is 4-(1-methylimidazol-2-yl)piperidin-4-ol;dihydrochloride.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)piperidin-4-ol;dihydrochloride?
The canonical SMILES for 4-(1-methylimidazol-2-yl)piperidin-4-ol;dihydrochloride is Cl.Cl.Cn1ccnc1C1(O)CCNCC1.
What is the InChIKey of 4-(1-methylimidazol-2-yl)piperidin-4-ol;dihydrochloride?
The InChIKey is MFXMGHURJVOUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.2ClH/c1-12-7-6-11-8(12)9(13)2-4-10-5-3-9;;/h6-7,10,13H,2-5H2,1H3;2*1H.
What are the key properties of 4-(1-methylimidazol-2-yl)piperidin-4-ol;dihydrochloride?
4-(1-methylimidazol-2-yl)piperidin-4-ol;dihydrochloride has a molecular weight of 254.16 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)piperidin-4-ol;dihydrochloride is sourced from PubChem (CID 126809376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).