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

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Related Compounds

ethyl 2-[(1-phenylcyclopropyl)methyl]pyrimidine-5-carboxylate
CID 159864160
4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide
CID 146689611
2-(ethylamino)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide
CID 72873385
1-[2-[(1,4-diphenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone;ethyl 2-[(1,4-diphenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate
CID 158186500
1-[2-[[1-(3-fluorophenyl)cyclohexyl]methyl]pyrimidin-5-yl]propan-1-one;2-hydroxy-1-[2-[(1-phenylcyclohexyl)methyl]pyrimidin-5-yl]ethanone
CID 159930346
3-amino-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;ethane
CID 142821686
2-[1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]imidazol-2-yl]benzoic acid
CID 56879229
ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[(1-phenylcyclopentyl)methyl]pyrimidine-5-carboxylate;1-phenylcyclopentan-1-amine;hydrochloride
CID 158541933
2-(1-phenylcyclopentyl)pyrimidine-5-carboxylic acid
CID 63080980
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 118776370
benzoic acid;1,4-dimethylpiperazine
CID 166460840
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazolidine-4-carboxamide
CID 134127510

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).