methyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate

C11H14ClN3O2 — CID 22308323

IUPACmethyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ccnc(Cl)n2)CC1
InChIInChI=1S/C11H14ClN3O2/c1-17-10(16)8-3-6-15(7-4-8)9-2-5-13-11(12)14-9/h2,5,8H,3-4,6-7H2,1H3
InChIKeyRANXPSAMFSXQAL-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.52
Rot. Bonds2

About methyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate

methyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate (PubChem CID 22308323) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is methyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate
PubChem CID22308323
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Namemethyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ccnc(Cl)n2)CC1
InChIInChI=1S/C11H14ClN3O2/c1-17-10(16)8-3-6-15(7-4-8)9-2-5-13-11(12)14-9/h2,5,8H,3-4,6-7H2,1H3
InChIKeyRANXPSAMFSXQAL-UHFFFAOYSA-N
XLogP1.52
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 2767267
Methyl 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylate
CID 1481815
2-Chloro-4-(4-methylpiperidin-1-yl)pyrimidine
CID 21939227
1-(2-Chloropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 45789847
1-(Pyrimidin-2-yl)piperidine-4-carbaldehyde
CID 62664150
1-(Pyrimidin-4-yl)piperidine-4-carboxylic acid hydrochloride
CID 67239180
Tert-butyl 4-{[(2-chloropyrimidin-4-yl)(methyl)amino]methyl}piperidine-1-carboxylate
CID 71647831
N-butyl-2-[1-(2-methoxy-4-pyrimidinyl)-4-piperidyl]-N-methylacetamide
CID 53189240
1-(2-Chloro-4-pyrimidinyl)-4-piperidinecarboxamide
CID 53338826
1-[(Pyrimidin-2-yl)methyl]piperidine-4-carbaldehyde
CID 62698846
1-(Pyrimidin-4-yl)piperidine-3-carboxylic acid hydrochloride
CID 177800057
Ethyl 1-{2-[1-(2-methoxypyrimidin-4-YL)piperidin-4-YL]acetyl}piperidine-4-carboxylate
CID 53189246

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate (CID 22308323) is methyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate is COC(=O)C1CCN(c2ccnc(Cl)n2)CC1.
What is the InChIKey of methyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate?
The InChIKey is RANXPSAMFSXQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-17-10(16)8-3-6-15(7-4-8)9-2-5-13-11(12)14-9/h2,5,8H,3-4,6-7H2,1H3.
What are the key properties of methyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate?
methyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate has a molecular weight of 255.70 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 22308323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).