2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine

C19H24ClN5 — CID 154575792

IUPAC2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine
SMILESClc1ccc(CN2CCN(c3nccc(N4CCCC4)n3)CC2)cc1
InChIInChI=1S/C19H24ClN5/c20-17-5-3-16(4-6-17)15-23-11-13-25(14-12-23)19-21-8-7-18(22-19)24-9-1-2-10-24/h3-8H,1-2,9-15H2
InChIKeyOGOYACXZSQCELF-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.05
Rot. Bonds4

About 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine

2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine (PubChem CID 154575792) has the molecular formula C19H24ClN5 and a molecular weight of 357.89 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine
PubChem CID154575792
Molecular FormulaC19H24ClN5
Molecular Weight357.89 g/mol
Exact Mass357.17
IUPAC Name2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine
SMILESClc1ccc(CN2CCN(c3nccc(N4CCCC4)n3)CC2)cc1
InChIInChI=1S/C19H24ClN5/c20-17-5-3-16(4-6-17)15-23-11-13-25(14-12-23)19-21-8-7-18(22-19)24-9-1-2-10-24/h3-8H,1-2,9-15H2
InChIKeyOGOYACXZSQCELF-UHFFFAOYSA-N
XLogP3.05
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine (CID 154575792) is 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine is Clc1ccc(CN2CCN(c3nccc(N4CCCC4)n3)CC2)cc1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine?
The InChIKey is OGOYACXZSQCELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5/c20-17-5-3-16(4-6-17)15-23-11-13-25(14-12-23)19-21-8-7-18(22-19)24-9-1-2-10-24/h3-8H,1-2,9-15H2.
What are the key properties of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine?
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine has a molecular weight of 357.89 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 154575792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).