tert-butyl 4-pyrimidin-5-ylpiperidine-1-carboxylate

C14H21N3O2 — CID 102136033

IUPACtert-butyl 4-pyrimidin-5-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cncnc2)CC1
InChIInChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17-6-4-11(5-7-17)12-8-15-10-16-9-12/h8-11H,4-7H2,1-3H3
InChIKeyAAMZRIODGCRXBZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.59
Rot. Bonds1

About tert-butyl 4-pyrimidin-5-ylpiperidine-1-carboxylate

tert-butyl 4-pyrimidin-5-ylpiperidine-1-carboxylate (PubChem CID 102136033) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl 4-pyrimidin-5-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-pyrimidin-5-ylpiperidine-1-carboxylate
PubChem CID102136033
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nametert-butyl 4-pyrimidin-5-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cncnc2)CC1
InChIInChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17-6-4-11(5-7-17)12-8-15-10-16-9-12/h8-11H,4-7H2,1-3H3
InChIKeyAAMZRIODGCRXBZ-UHFFFAOYSA-N
XLogP2.59
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-methoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 49758029
8-(2-Methyl-5-propylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 50977371
Tert-butyl 3-(pyrimidin-5-yl)azetidine-1-carboxylate
CID 86198114
4,4,4-Trifluoro-1-(4-pyrimidin-5-yl-1-piperidyl)butan-1-one
CID 137509106
Tert-butyl 4-[2-chloro-5-(propan-2-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 137963988
Tert-butyl 4-(5-propylpyrimidin-2-yl)-1,4-diazepane-1-carboxylate
CID 2796298
Tert-butyl 4-(5-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxylate
CID 70827638
1-Methyl-4-(5-propylpyrimidin-2-YL)piperazin-2-one
CID 129612994
[(2S)-4-methylpentan-2-yl] 3-(5-cyclopropylpyrimidin-2-yl)azetidine-1-carboxylate
CID 164636481
Tert-butyl 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 24959968
4-[5-(3-Fluoropropyl)pyrimidin-2-yl]piperazine-1-carboxylic acid
CID 68406741
tert-butyl (3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperidine-1-carboxylate
CID 139500151

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-pyrimidin-5-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-pyrimidin-5-ylpiperidine-1-carboxylate (CID 102136033) is tert-butyl 4-pyrimidin-5-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-pyrimidin-5-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-pyrimidin-5-ylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cncnc2)CC1.
What is the InChIKey of tert-butyl 4-pyrimidin-5-ylpiperidine-1-carboxylate?
The InChIKey is AAMZRIODGCRXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17-6-4-11(5-7-17)12-8-15-10-16-9-12/h8-11H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-pyrimidin-5-ylpiperidine-1-carboxylate?
tert-butyl 4-pyrimidin-5-ylpiperidine-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-pyrimidin-5-ylpiperidine-1-carboxylate is sourced from PubChem (CID 102136033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).