tert-butyl N-[1-(2-chloropyrimidin-4-yl)-4-methylpiperidin-4-yl]carbamate

C15H23ClN4O2 — CID 19694924

IUPACtert-butyl N-[1-(2-chloropyrimidin-4-yl)-4-methylpiperidin-4-yl]carbamate
SMILESCC1(NC(=O)OC(C)(C)C)CCN(c2ccnc(Cl)n2)CC1
InChIInChI=1S/C15H23ClN4O2/c1-14(2,3)22-13(21)19-15(4)6-9-20(10-7-15)11-5-8-17-12(16)18-11/h5,8H,6-7,9-10H2,1-4H3,(H,19,21)
InChIKeyJKTQZENFBDHAAV-UHFFFAOYSA-N
MW326.83 g/mol
LogP3.01
Rot. Bonds2

About tert-butyl N-[1-(2-chloropyrimidin-4-yl)-4-methylpiperidin-4-yl]carbamate

tert-butyl N-[1-(2-chloropyrimidin-4-yl)-4-methylpiperidin-4-yl]carbamate (PubChem CID 19694924) has the molecular formula C15H23ClN4O2 and a molecular weight of 326.83 g/mol. Its IUPAC name is tert-butyl N-[1-(2-chloropyrimidin-4-yl)-4-methylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-chloropyrimidin-4-yl)-4-methylpiperidin-4-yl]carbamate
PubChem CID19694924
Molecular FormulaC15H23ClN4O2
Molecular Weight326.83 g/mol
Exact Mass326.15
IUPAC Nametert-butyl N-[1-(2-chloropyrimidin-4-yl)-4-methylpiperidin-4-yl]carbamate
SMILESCC1(NC(=O)OC(C)(C)C)CCN(c2ccnc(Cl)n2)CC1
InChIInChI=1S/C15H23ClN4O2/c1-14(2,3)22-13(21)19-15(4)6-9-20(10-7-15)11-5-8-17-12(16)18-11/h5,8H,6-7,9-10H2,1-4H3,(H,19,21)
InChIKeyJKTQZENFBDHAAV-UHFFFAOYSA-N
XLogP3.01
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-chloropyrimidin-4-yl)-4-methylpiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-chloropyrimidin-4-yl)-4-methylpiperidin-4-yl]carbamate (CID 19694924) is tert-butyl N-[1-(2-chloropyrimidin-4-yl)-4-methylpiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-chloropyrimidin-4-yl)-4-methylpiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-chloropyrimidin-4-yl)-4-methylpiperidin-4-yl]carbamate is CC1(NC(=O)OC(C)(C)C)CCN(c2ccnc(Cl)n2)CC1.
What is the InChIKey of tert-butyl N-[1-(2-chloropyrimidin-4-yl)-4-methylpiperidin-4-yl]carbamate?
The InChIKey is JKTQZENFBDHAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O2/c1-14(2,3)22-13(21)19-15(4)6-9-20(10-7-15)11-5-8-17-12(16)18-11/h5,8H,6-7,9-10H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[1-(2-chloropyrimidin-4-yl)-4-methylpiperidin-4-yl]carbamate?
tert-butyl N-[1-(2-chloropyrimidin-4-yl)-4-methylpiperidin-4-yl]carbamate has a molecular weight of 326.83 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-chloropyrimidin-4-yl)-4-methylpiperidin-4-yl]carbamate is sourced from PubChem (CID 19694924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).