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

C9H15N3O — CID 6483922

IUPAC4-(1-methylimidazol-2-yl)piperidin-4-ol
SMILESCn1ccnc1C1(O)CCNCC1
InChIInChI=1S/C9H15N3O/c1-12-7-6-11-8(12)9(13)2-4-10-5-3-9/h6-7,10,13H,2-5H2,1H3
InChIKeyKDHIXBKIBCKZQU-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.01
Rot. Bonds1

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

4-(1-methylimidazol-2-yl)piperidin-4-ol (PubChem CID 6483922) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)piperidin-4-ol
PubChem CID6483922
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-(1-methylimidazol-2-yl)piperidin-4-ol
SMILESCn1ccnc1C1(O)CCNCC1
InChIInChI=1S/C9H15N3O/c1-12-7-6-11-8(12)9(13)2-4-10-5-3-9/h6-7,10,13H,2-5H2,1H3
InChIKeyKDHIXBKIBCKZQU-UHFFFAOYSA-N
XLogP-0.01
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.01
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?
The IUPAC name of 4-(1-methylimidazol-2-yl)piperidin-4-ol (CID 6483922) is 4-(1-methylimidazol-2-yl)piperidin-4-ol.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)piperidin-4-ol?
The canonical SMILES for 4-(1-methylimidazol-2-yl)piperidin-4-ol is Cn1ccnc1C1(O)CCNCC1.
What is the InChIKey of 4-(1-methylimidazol-2-yl)piperidin-4-ol?
The InChIKey is KDHIXBKIBCKZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-7-6-11-8(12)9(13)2-4-10-5-3-9/h6-7,10,13H,2-5H2,1H3.
What are the key properties of 4-(1-methylimidazol-2-yl)piperidin-4-ol?
4-(1-methylimidazol-2-yl)piperidin-4-ol has a molecular weight of 181.24 g/mol, XLogP of -0.01, 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 is sourced from PubChem (CID 6483922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).