1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one

C18H23N3O2 — CID 16667945

IUPAC1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESCn1ccnc1C1(O)CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C18H23N3O2/c1-20-14-11-19-17(20)18(23)9-12-21(13-10-18)16(22)8-7-15-5-3-2-4-6-15/h2-6,11,14,23H,7-10,12-13H2,1H3
InChIKeyRBKMDHZHGWBDCM-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.86
Rot. Bonds4

About 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one

1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 16667945) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID16667945
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESCn1ccnc1C1(O)CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C18H23N3O2/c1-20-14-11-19-17(20)18(23)9-12-21(13-10-18)16(22)8-7-15-5-3-2-4-6-15/h2-6,11,14,23H,7-10,12-13H2,1H3
InChIKeyRBKMDHZHGWBDCM-UHFFFAOYSA-N
XLogP1.86
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one (CID 16667945) is 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one is Cn1ccnc1C1(O)CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is RBKMDHZHGWBDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-20-14-11-19-17(20)18(23)9-12-21(13-10-18)16(22)8-7-15-5-3-2-4-6-15/h2-6,11,14,23H,7-10,12-13H2,1H3.
What are the key properties of 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one?
1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 313.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 16667945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).