tert-butyl (2R)-4-(5-chloropyrimidin-2-yl)-2-methylpiperidine-1-carboxylate

C15H22ClN3O2 — CID 175958198

IUPACtert-butyl (2R)-4-(5-chloropyrimidin-2-yl)-2-methylpiperidine-1-carboxylate
SMILESC[C@@H]1CC(c2ncc(Cl)cn2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H22ClN3O2/c1-10-7-11(13-17-8-12(16)9-18-13)5-6-19(10)14(20)21-15(2,3)4/h8-11H,5-7H2,1-4H3/t10-,11?/m1/s1
InChIKeyHSFDGHKLXJBQQE-NFJWQWPMSA-N
MW311.81 g/mol
LogP3.63
Rot. Bonds1

About tert-butyl (2R)-4-(5-chloropyrimidin-2-yl)-2-methylpiperidine-1-carboxylate

tert-butyl (2R)-4-(5-chloropyrimidin-2-yl)-2-methylpiperidine-1-carboxylate (PubChem CID 175958198) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is tert-butyl (2R)-4-(5-chloropyrimidin-2-yl)-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-4-(5-chloropyrimidin-2-yl)-2-methylpiperidine-1-carboxylate
PubChem CID175958198
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Nametert-butyl (2R)-4-(5-chloropyrimidin-2-yl)-2-methylpiperidine-1-carboxylate
SMILESC[C@@H]1CC(c2ncc(Cl)cn2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H22ClN3O2/c1-10-7-11(13-17-8-12(16)9-18-13)5-6-19(10)14(20)21-15(2,3)4/h8-11H,5-7H2,1-4H3/t10-,11?/m1/s1
InChIKeyHSFDGHKLXJBQQE-NFJWQWPMSA-N
XLogP3.63
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S,4S)-4-(4-hydroxyphenyl)-2-methylpiperidine-1-carboxylate
CID 101245812
tert-butyl (2R,4R)-4-(4-aminophenyl)-2-methylpiperidine-1-carboxylate
CID 97305072
tert-butyl (2S,4S)-2-methyl-4-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylate
CID 178128025
tert-butyl 4-(4-methoxycarbonylphenyl)-2-methylpiperidine-1-carboxylate
CID 177300820
tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 18653318
tert-butyl (2S)-4-tert-butyl-2-methylpiperidine-1-carboxylate
CID 102268017
tert-butyl (2S)-4-iodo-2-methylpiperidine-1-carboxylate
CID 175815373
tert-butyl (2R)-4-[2-(5-chloro-2-pyridinyl)-2-oxoethyl]-2-methylpiperazine-1-carboxylate
CID 178149080
tert-butyl 5-hydroxy-2-methylazepane-1-carboxylate
CID 77230933
tert-butyl (2R,4S)-4-ethynyl-2-methylpiperidine-1-carboxylate
CID 125425976
tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 95913489
tert-butyl (2R)-4-cyano-2-methylpiperidine-1-carboxylate
CID 155905122

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-4-(5-chloropyrimidin-2-yl)-2-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-4-(5-chloropyrimidin-2-yl)-2-methylpiperidine-1-carboxylate (CID 175958198) is tert-butyl (2R)-4-(5-chloropyrimidin-2-yl)-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-4-(5-chloropyrimidin-2-yl)-2-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-4-(5-chloropyrimidin-2-yl)-2-methylpiperidine-1-carboxylate is C[C@@H]1CC(c2ncc(Cl)cn2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-4-(5-chloropyrimidin-2-yl)-2-methylpiperidine-1-carboxylate?
The InChIKey is HSFDGHKLXJBQQE-NFJWQWPMSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-10-7-11(13-17-8-12(16)9-18-13)5-6-19(10)14(20)21-15(2,3)4/h8-11H,5-7H2,1-4H3/t10-,11?/m1/s1.
What are the key properties of tert-butyl (2R)-4-(5-chloropyrimidin-2-yl)-2-methylpiperidine-1-carboxylate?
tert-butyl (2R)-4-(5-chloropyrimidin-2-yl)-2-methylpiperidine-1-carboxylate has a molecular weight of 311.81 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-4-(5-chloropyrimidin-2-yl)-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 175958198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).