methyl 1-(5-chloropyrimidin-4-yl)piperidine-3-carboxylate

C11H14ClN3O2 — CID 105370413

IUPACmethyl 1-(5-chloropyrimidin-4-yl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2ncncc2Cl)C1
InChIInChI=1S/C11H14ClN3O2/c1-17-11(16)8-3-2-4-15(6-8)10-9(12)5-13-7-14-10/h5,7-8H,2-4,6H2,1H3
InChIKeyDPMSPPWXAFYQGY-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.52
Rot. Bonds2

About methyl 1-(5-chloropyrimidin-4-yl)piperidine-3-carboxylate

methyl 1-(5-chloropyrimidin-4-yl)piperidine-3-carboxylate (PubChem CID 105370413) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is methyl 1-(5-chloropyrimidin-4-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-chloropyrimidin-4-yl)piperidine-3-carboxylate
PubChem CID105370413
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Namemethyl 1-(5-chloropyrimidin-4-yl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2ncncc2Cl)C1
InChIInChI=1S/C11H14ClN3O2/c1-17-11(16)8-3-2-4-15(6-8)10-9(12)5-13-7-14-10/h5,7-8H,2-4,6H2,1H3
InChIKeyDPMSPPWXAFYQGY-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

methyl 1-(3-chloro-4-pyridinyl)piperidine-3-carboxylate
CID 115538455
methyl 1-(6-amino-5-chloropyrimidin-4-yl)piperidine-3-carboxylate
CID 114049878
methyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 78920258
methyl 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidine-3-carboxylate
CID 103880059
2-[1-(5-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
CID 105370226
methyl 1-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxylate
CID 108773360
methyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate
CID 115538419
1-(5-chloropyrimidin-4-yl)azepane;hydrochloride
CID 172880685
1-(5-chloropyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 105370258
1-(5-aminopyrimidin-4-yl)piperidine-3-carboxamide
CID 79910682
methyl (3S)-1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxylate
CID 133326755
methyl (3R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 133484605

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-chloropyrimidin-4-yl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(5-chloropyrimidin-4-yl)piperidine-3-carboxylate (CID 105370413) is methyl 1-(5-chloropyrimidin-4-yl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(5-chloropyrimidin-4-yl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(5-chloropyrimidin-4-yl)piperidine-3-carboxylate is COC(=O)C1CCCN(c2ncncc2Cl)C1.
What is the InChIKey of methyl 1-(5-chloropyrimidin-4-yl)piperidine-3-carboxylate?
The InChIKey is DPMSPPWXAFYQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-17-11(16)8-3-2-4-15(6-8)10-9(12)5-13-7-14-10/h5,7-8H,2-4,6H2,1H3.
What are the key properties of methyl 1-(5-chloropyrimidin-4-yl)piperidine-3-carboxylate?
methyl 1-(5-chloropyrimidin-4-yl)piperidine-3-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-(5-chloropyrimidin-4-yl)piperidine-3-carboxylate is sourced from PubChem (CID 105370413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).