4-[4-(2-chlorophenyl)piperidin-4-yl]-2-propan-2-ylpyrimidine

C18H22ClN3 — CID 70745072

IUPAC4-[4-(2-chlorophenyl)piperidin-4-yl]-2-propan-2-ylpyrimidine
SMILESCC(C)c1nccc(C2(c3ccccc3Cl)CCNCC2)n1
InChIInChI=1S/C18H22ClN3/c1-13(2)17-21-10-7-16(22-17)18(8-11-20-12-9-18)14-5-3-4-6-15(14)19/h3-7,10,13,20H,8-9,11-12H2,1-2H3
InChIKeyQOPAWRCEUGYWBD-UHFFFAOYSA-N
MW315.85 g/mol
LogP3.92
Rot. Bonds3

About 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-propan-2-ylpyrimidine

4-[4-(2-chlorophenyl)piperidin-4-yl]-2-propan-2-ylpyrimidine (PubChem CID 70745072) has the molecular formula C18H22ClN3 and a molecular weight of 315.85 g/mol. Its IUPAC name is 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-[4-(2-chlorophenyl)piperidin-4-yl]-2-propan-2-ylpyrimidine
PubChem CID70745072
Molecular FormulaC18H22ClN3
Molecular Weight315.85 g/mol
Exact Mass315.15
IUPAC Name4-[4-(2-chlorophenyl)piperidin-4-yl]-2-propan-2-ylpyrimidine
SMILESCC(C)c1nccc(C2(c3ccccc3Cl)CCNCC2)n1
InChIInChI=1S/C18H22ClN3/c1-13(2)17-21-10-7-16(22-17)18(8-11-20-12-9-18)14-5-3-4-6-15(14)19/h3-7,10,13,20H,8-9,11-12H2,1-2H3
InChIKeyQOPAWRCEUGYWBD-UHFFFAOYSA-N
XLogP3.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-propan-2-ylpyrimidine?
The IUPAC name of 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-propan-2-ylpyrimidine (CID 70745072) is 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-propan-2-ylpyrimidine is CC(C)c1nccc(C2(c3ccccc3Cl)CCNCC2)n1.
What is the InChIKey of 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-propan-2-ylpyrimidine?
The InChIKey is QOPAWRCEUGYWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3/c1-13(2)17-21-10-7-16(22-17)18(8-11-20-12-9-18)14-5-3-4-6-15(14)19/h3-7,10,13,20H,8-9,11-12H2,1-2H3.
What are the key properties of 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-propan-2-ylpyrimidine?
4-[4-(2-chlorophenyl)piperidin-4-yl]-2-propan-2-ylpyrimidine has a molecular weight of 315.85 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-propan-2-ylpyrimidine is sourced from PubChem (CID 70745072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).