2-tert-butyl-4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidine

C19H24ClN3 — CID 70785672

IUPAC2-tert-butyl-4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidine
SMILESCC(C)(C)c1nccc(C2(c3ccccc3Cl)CCNCC2)n1
InChIInChI=1S/C19H24ClN3/c1-18(2,3)17-22-11-8-16(23-17)19(9-12-21-13-10-19)14-6-4-5-7-15(14)20/h4-8,11,21H,9-10,12-13H2,1-3H3
InChIKeyOQKSVFPXSGQWMU-UHFFFAOYSA-N
MW329.88 g/mol
LogP4.10
Rot. Bonds2

About 2-tert-butyl-4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidine

2-tert-butyl-4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidine (PubChem CID 70785672) has the molecular formula C19H24ClN3 and a molecular weight of 329.88 g/mol. Its IUPAC name is 2-tert-butyl-4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidine
PubChem CID70785672
Molecular FormulaC19H24ClN3
Molecular Weight329.88 g/mol
Exact Mass329.17
IUPAC Name2-tert-butyl-4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidine
SMILESCC(C)(C)c1nccc(C2(c3ccccc3Cl)CCNCC2)n1
InChIInChI=1S/C19H24ClN3/c1-18(2,3)17-22-11-8-16(23-17)19(9-12-21-13-10-19)14-6-4-5-7-15(14)20/h4-8,11,21H,9-10,12-13H2,1-3H3
InChIKeyOQKSVFPXSGQWMU-UHFFFAOYSA-N
XLogP4.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.88
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidine?
The IUPAC name of 2-tert-butyl-4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidine (CID 70785672) is 2-tert-butyl-4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidine?
The canonical SMILES for 2-tert-butyl-4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidine is CC(C)(C)c1nccc(C2(c3ccccc3Cl)CCNCC2)n1.
What is the InChIKey of 2-tert-butyl-4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidine?
The InChIKey is OQKSVFPXSGQWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3/c1-18(2,3)17-22-11-8-16(23-17)19(9-12-21-13-10-19)14-6-4-5-7-15(14)20/h4-8,11,21H,9-10,12-13H2,1-3H3.
What are the key properties of 2-tert-butyl-4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidine?
2-tert-butyl-4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidine has a molecular weight of 329.88 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidine is sourced from PubChem (CID 70785672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).