tert-butyl 4-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate

C20H32N4O2 — CID 24960704

IUPACtert-butyl 4-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate
SMILESCc1cc(N2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)ncn1
InChIInChI=1S/C20H32N4O2/c1-15-13-18(22-14-21-15)23-9-5-16(6-10-23)17-7-11-24(12-8-17)19(25)26-20(2,3)4/h13-14,16-17H,5-12H2,1-4H3
InChIKeyPJLRCNKINVLLRE-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.65
Rot. Bonds2

About tert-butyl 4-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate

tert-butyl 4-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate (PubChem CID 24960704) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is tert-butyl 4-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate
PubChem CID24960704
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Nametert-butyl 4-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate
SMILESCc1cc(N2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)ncn1
InChIInChI=1S/C20H32N4O2/c1-15-13-18(22-14-21-15)23-9-5-16(6-10-23)17-7-11-24(12-8-17)19(25)26-20(2,3)4/h13-14,16-17H,5-12H2,1-4H3
InChIKeyPJLRCNKINVLLRE-UHFFFAOYSA-N
XLogP3.65
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate (CID 24960704) is tert-butyl 4-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate is Cc1cc(N2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)ncn1.
What is the InChIKey of tert-butyl 4-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate?
The InChIKey is PJLRCNKINVLLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-15-13-18(22-14-21-15)23-9-5-16(6-10-23)17-7-11-24(12-8-17)19(25)26-20(2,3)4/h13-14,16-17H,5-12H2,1-4H3.
What are the key properties of tert-butyl 4-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate?
tert-butyl 4-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate has a molecular weight of 360.50 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 24960704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).