tert-butyl 4-methyl-4-(pyrimidin-4-ylmethylamino)piperidine-1-carboxylate

C16H26N4O2 — CID 107254388

IUPACtert-butyl 4-methyl-4-(pyrimidin-4-ylmethylamino)piperidine-1-carboxylate
SMILESCC1(NCc2ccncn2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H26N4O2/c1-15(2,3)22-14(21)20-9-6-16(4,7-10-20)19-11-13-5-8-17-12-18-13/h5,8,12,19H,6-7,9-11H2,1-4H3
InChIKeyVTBSRBSYRPOLCN-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.36
Rot. Bonds3

About tert-butyl 4-methyl-4-(pyrimidin-4-ylmethylamino)piperidine-1-carboxylate

tert-butyl 4-methyl-4-(pyrimidin-4-ylmethylamino)piperidine-1-carboxylate (PubChem CID 107254388) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl 4-methyl-4-(pyrimidin-4-ylmethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-4-(pyrimidin-4-ylmethylamino)piperidine-1-carboxylate
PubChem CID107254388
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Nametert-butyl 4-methyl-4-(pyrimidin-4-ylmethylamino)piperidine-1-carboxylate
SMILESCC1(NCc2ccncn2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H26N4O2/c1-15(2,3)22-14(21)20-9-6-16(4,7-10-20)19-11-13-5-8-17-12-18-13/h5,8,12,19H,6-7,9-11H2,1-4H3
InChIKeyVTBSRBSYRPOLCN-UHFFFAOYSA-N
XLogP2.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-methyl-4-[(5-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate
CID 104956417
tert-butyl 4-methyl-4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
CID 104956422
tert-butyl 4-(pyrimidin-4-ylmethylamino)azepane-1-carboxylate
CID 107255037
tert-butyl 3-propyl-3-[(pyrimidin-4-ylmethylamino)methyl]piperidine-1-carboxylate
CID 114280757
tert-butyl 4-[(3-hydroxyphenyl)methylamino]-4-methylpiperidine-1-carboxylate
CID 104956392
tert-butyl 4-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylpiperidine-1-carboxylate
CID 107095533
tert-butyl 4-methyl-4-(2-methylpropylamino)piperidine-1-carboxylate
CID 104956396
tert-butyl N-(pyrimidin-4-ylmethylamino)carbamate
CID 107236805
tert-butyl 4-methyl-4-pyrimidin-2-ylpiperidine-1-carboxylate
CID 162726086
tert-butyl 4-(heptylamino)-4-methylpiperidine-1-carboxylate
CID 107254416
ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 142839957
tert-butyl 4-hydroxy-4-[(pyrazin-2-ylmethylamino)methyl]piperidine-1-carboxylate
CID 126847305

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-4-(pyrimidin-4-ylmethylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-4-(pyrimidin-4-ylmethylamino)piperidine-1-carboxylate (CID 107254388) is tert-butyl 4-methyl-4-(pyrimidin-4-ylmethylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-4-(pyrimidin-4-ylmethylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-4-(pyrimidin-4-ylmethylamino)piperidine-1-carboxylate is CC1(NCc2ccncn2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-methyl-4-(pyrimidin-4-ylmethylamino)piperidine-1-carboxylate?
The InChIKey is VTBSRBSYRPOLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-15(2,3)22-14(21)20-9-6-16(4,7-10-20)19-11-13-5-8-17-12-18-13/h5,8,12,19H,6-7,9-11H2,1-4H3.
What are the key properties of tert-butyl 4-methyl-4-(pyrimidin-4-ylmethylamino)piperidine-1-carboxylate?
tert-butyl 4-methyl-4-(pyrimidin-4-ylmethylamino)piperidine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-4-(pyrimidin-4-ylmethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 107254388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).