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Ifenprodil

C21H27NO2 — CID 3689

💊View drug profile → ifenprodil

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
SMILESCC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3
InChIKeyUYNVMODNBIQBMV-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.77
Rot. Bonds5

About Ifenprodil

Ifenprodil (PubChem CID 3689) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol.

Molecular Properties

Compound NameIfenprodil
PubChem CID3689
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
SMILESCC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3
InChIKeyUYNVMODNBIQBMV-UHFFFAOYSA-N
XLogP3.77
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of Ifenprodil?
The IUPAC name of Ifenprodil (CID 3689) is 4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol.
What is the SMILES notation for Ifenprodil?
The canonical SMILES for Ifenprodil is CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of Ifenprodil?
The InChIKey is UYNVMODNBIQBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3.
What are the key properties of Ifenprodil?
Ifenprodil has a molecular weight of 325.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Ifenprodil is sourced from PubChem (CID 3689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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