1-[(2-chloropyrimidin-4-yl)methyl]piperidine-4-carboxylic acid

C11H14ClN3O2 — CID 71649628

IUPAC1-[(2-chloropyrimidin-4-yl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccnc(Cl)n2)CC1
InChIInChI=1S/C11H14ClN3O2/c12-11-13-4-1-9(14-11)7-15-5-2-8(3-6-15)10(16)17/h1,4,8H,2-3,5-7H2,(H,16,17)
InChIKeyIYHZYEMCUWDDFZ-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.43
Rot. Bonds3

About 1-[(2-chloropyrimidin-4-yl)methyl]piperidine-4-carboxylic acid

1-[(2-chloropyrimidin-4-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 71649628) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 1-[(2-chloropyrimidin-4-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-chloropyrimidin-4-yl)methyl]piperidine-4-carboxylic acid
PubChem CID71649628
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name1-[(2-chloropyrimidin-4-yl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccnc(Cl)n2)CC1
InChIInChI=1S/C11H14ClN3O2/c12-11-13-4-1-9(14-11)7-15-5-2-8(3-6-15)10(16)17/h1,4,8H,2-3,5-7H2,(H,16,17)
InChIKeyIYHZYEMCUWDDFZ-UHFFFAOYSA-N
XLogP1.43
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119906545
1-[(2,3,6-trichlorophenyl)methyl]piperidine-4-carboxylic acid
CID 82183313
1-[(2-chloropyrimidin-4-yl)methyl]-4-methylpyrrolidin-3-ol
CID 131185921
tert-butyl N-[(3R)-1-[(2-chloropyrimidin-4-yl)methyl]piperidin-3-yl]-N-methylcarbamate
CID 97167031
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
2-chloro-4-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrimidine
CID 97163267
2-chloro-4-(4-chloropiperidin-1-yl)pyrimidine
CID 142745770
1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylic acid
CID 50896517
1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 42961844
N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide
CID 46967148
[1-[(8-chloroquinolin-2-yl)methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone
CID 23725741
ethyl (3S)-1-(2-chloropyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 129499368

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloropyrimidin-4-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-chloropyrimidin-4-yl)methyl]piperidine-4-carboxylic acid (CID 71649628) is 1-[(2-chloropyrimidin-4-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-chloropyrimidin-4-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-chloropyrimidin-4-yl)methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2ccnc(Cl)n2)CC1.
What is the InChIKey of 1-[(2-chloropyrimidin-4-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is IYHZYEMCUWDDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-11-13-4-1-9(14-11)7-15-5-2-8(3-6-15)10(16)17/h1,4,8H,2-3,5-7H2,(H,16,17).
What are the key properties of 1-[(2-chloropyrimidin-4-yl)methyl]piperidine-4-carboxylic acid?
1-[(2-chloropyrimidin-4-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 255.70 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloropyrimidin-4-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 71649628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).