2-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylic acid

C18H21N3O2 — CID 159705164

IUPAC2-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylic acid
SMILESCN1CCC(Cc2ncc(C(=O)O)cn2)(c2ccccc2)CC1
InChIInChI=1S/C18H21N3O2/c1-21-9-7-18(8-10-21,15-5-3-2-4-6-15)11-16-19-12-14(13-20-16)17(22)23/h2-6,12-13H,7-11H2,1H3,(H,22,23)
InChIKeyOCZLDMPYMVRADP-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.38
Rot. Bonds4

About 2-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylic acid

2-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylic acid (PubChem CID 159705164) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylic acid
PubChem CID159705164
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylic acid
SMILESCN1CCC(Cc2ncc(C(=O)O)cn2)(c2ccccc2)CC1
InChIInChI=1S/C18H21N3O2/c1-21-9-7-18(8-10-21,15-5-3-2-4-6-15)11-16-19-12-14(13-20-16)17(22)23/h2-6,12-13H,7-11H2,1H3,(H,22,23)
InChIKeyOCZLDMPYMVRADP-UHFFFAOYSA-N
XLogP2.38
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylic acid (CID 159705164) is 2-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylic acid is CN1CCC(Cc2ncc(C(=O)O)cn2)(c2ccccc2)CC1.
What is the InChIKey of 2-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylic acid?
The InChIKey is OCZLDMPYMVRADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-21-9-7-18(8-10-21,15-5-3-2-4-6-15)11-16-19-12-14(13-20-16)17(22)23/h2-6,12-13H,7-11H2,1H3,(H,22,23).
What are the key properties of 2-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylic acid?
2-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylic acid has a molecular weight of 311.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 159705164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).