(4-hydroxy-4-phenylpiperidin-1-yl)-(oxolan-2-yl)methanone

C16H21NO3 — CID 644736

IUPAC(4-hydroxy-4-phenylpiperidin-1-yl)-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C16H21NO3/c18-15(14-7-4-12-20-14)17-10-8-16(19,9-11-17)13-5-2-1-3-6-13/h1-3,5-6,14,19H,4,7-12H2
InChIKeyGYFBCKYCWZAGPP-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.68
Rot. Bonds2

About (4-hydroxy-4-phenylpiperidin-1-yl)-(oxolan-2-yl)methanone

(4-hydroxy-4-phenylpiperidin-1-yl)-(oxolan-2-yl)methanone (PubChem CID 644736) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (4-hydroxy-4-phenylpiperidin-1-yl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4-phenylpiperidin-1-yl)-(oxolan-2-yl)methanone
PubChem CID644736
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(4-hydroxy-4-phenylpiperidin-1-yl)-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C16H21NO3/c18-15(14-7-4-12-20-14)17-10-8-16(19,9-11-17)13-5-2-1-3-6-13/h1-3,5-6,14,19H,4,7-12H2
InChIKeyGYFBCKYCWZAGPP-UHFFFAOYSA-N
XLogP1.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-phenylpiperidin-1-yl)-(oxolan-2-yl)methanone?
The IUPAC name of (4-hydroxy-4-phenylpiperidin-1-yl)-(oxolan-2-yl)methanone (CID 644736) is (4-hydroxy-4-phenylpiperidin-1-yl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (4-hydroxy-4-phenylpiperidin-1-yl)-(oxolan-2-yl)methanone?
The canonical SMILES for (4-hydroxy-4-phenylpiperidin-1-yl)-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of (4-hydroxy-4-phenylpiperidin-1-yl)-(oxolan-2-yl)methanone?
The InChIKey is GYFBCKYCWZAGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-15(14-7-4-12-20-14)17-10-8-16(19,9-11-17)13-5-2-1-3-6-13/h1-3,5-6,14,19H,4,7-12H2.
What are the key properties of (4-hydroxy-4-phenylpiperidin-1-yl)-(oxolan-2-yl)methanone?
(4-hydroxy-4-phenylpiperidin-1-yl)-(oxolan-2-yl)methanone has a molecular weight of 275.35 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-phenylpiperidin-1-yl)-(oxolan-2-yl)methanone is sourced from PubChem (CID 644736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).