tert-butyl 2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidine-5-carboxylate

C15H23N3O3 — CID 155296742

IUPACtert-butyl 2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidine-5-carboxylate
SMILESCC(C)(C)OC(=O)c1cnc(N2CCC(CO)CC2)nc1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)21-13(20)12-8-16-14(17-9-12)18-6-4-11(10-19)5-7-18/h8-9,11,19H,4-7,10H2,1-3H3
InChIKeyNPZCHWONQSPNCD-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.64
Rot. Bonds3

About tert-butyl 2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidine-5-carboxylate

tert-butyl 2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidine-5-carboxylate (PubChem CID 155296742) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl 2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidine-5-carboxylate
PubChem CID155296742
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl 2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidine-5-carboxylate
SMILESCC(C)(C)OC(=O)c1cnc(N2CCC(CO)CC2)nc1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)21-13(20)12-8-16-14(17-9-12)18-6-4-11(10-19)5-7-18/h8-9,11,19H,4-7,10H2,1-3H3
InChIKeyNPZCHWONQSPNCD-UHFFFAOYSA-N
XLogP1.64
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyrimidine-5-carboxamide
CID 176983424
1-(5-methoxycarbonylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 156541249
[1-[5-(2-methylpropyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 116976091
tert-butyl 5-(2-fluoroethoxy)-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylate
CID 146172265
methyl 2-[4-[[[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxylate
CID 155162638
ethyl 2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxylate
CID 142804810
1-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidin-5-yl]piperidine-4-carboxylic acid
CID 155677799
ethyl 2-(4-formylpiperidin-1-yl)pyrimidine-5-carboxylate
CID 59556290
2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid
CID 53415565
ethyl 2-[4-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylate
CID 135372335
2-[4-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrimidin-2-yl]piperazin-1-yl]pyrimidine-5-carboxylic acid
CID 146223714
tert-butyl 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 24959968

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidine-5-carboxylate?
The IUPAC name of tert-butyl 2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidine-5-carboxylate (CID 155296742) is tert-butyl 2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidine-5-carboxylate.
What is the SMILES notation for tert-butyl 2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidine-5-carboxylate?
The canonical SMILES for tert-butyl 2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidine-5-carboxylate is CC(C)(C)OC(=O)c1cnc(N2CCC(CO)CC2)nc1.
What is the InChIKey of tert-butyl 2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidine-5-carboxylate?
The InChIKey is NPZCHWONQSPNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,3)21-13(20)12-8-16-14(17-9-12)18-6-4-11(10-19)5-7-18/h8-9,11,19H,4-7,10H2,1-3H3.
What are the key properties of tert-butyl 2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidine-5-carboxylate?
tert-butyl 2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidine-5-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidine-5-carboxylate is sourced from PubChem (CID 155296742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).