(4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone

C19H21NO2 — CID 20784

IUPAC(4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone
SMILESCN1CCC(O)(c2ccccc2)C(C(=O)c2ccccc2)C1
InChIInChI=1S/C19H21NO2/c1-20-13-12-19(22,16-10-6-3-7-11-16)17(14-20)18(21)15-8-4-2-5-9-15/h2-11,17,22H,12-14H2,1H3
InChIKeyTVRFABREAYQAQA-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.71
Rot. Bonds3

About (4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone

(4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone (PubChem CID 20784) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone
PubChem CID20784
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone
SMILESCN1CCC(O)(c2ccccc2)C(C(=O)c2ccccc2)C1
InChIInChI=1S/C19H21NO2/c1-20-13-12-19(22,16-10-6-3-7-11-16)17(14-20)18(21)15-8-4-2-5-9-15/h2-11,17,22H,12-14H2,1H3
InChIKeyTVRFABREAYQAQA-UHFFFAOYSA-N
XLogP2.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone?
The IUPAC name of (4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone (CID 20784) is (4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone.
What is the SMILES notation for (4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone?
The canonical SMILES for (4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone is CN1CCC(O)(c2ccccc2)C(C(=O)c2ccccc2)C1.
What is the InChIKey of (4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone?
The InChIKey is TVRFABREAYQAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-20-13-12-19(22,16-10-6-3-7-11-16)17(14-20)18(21)15-8-4-2-5-9-15/h2-11,17,22H,12-14H2,1H3.
What are the key properties of (4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone?
(4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone has a molecular weight of 295.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone is sourced from PubChem (CID 20784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).