2-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine

C14H15ClN4 — CID 47439803

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine
SMILESClc1ccc(N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C14H15ClN4/c15-12-2-4-13(5-3-12)18-8-10-19(11-9-18)14-16-6-1-7-17-14/h1-7H,8-11H2
InChIKeyIRZNEVTXXMJKTF-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.46
Rot. Bonds2

About 2-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine

2-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine (PubChem CID 47439803) has the molecular formula C14H15ClN4 and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine
PubChem CID47439803
Molecular FormulaC14H15ClN4
Molecular Weight274.75 g/mol
Exact Mass274.10
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine
SMILESClc1ccc(N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C14H15ClN4/c15-12-2-4-13(5-3-12)18-8-10-19(11-9-18)14-16-6-1-7-17-14/h1-7H,8-11H2
InChIKeyIRZNEVTXXMJKTF-UHFFFAOYSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine
CID 43318153
1-(4-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2832597
2-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 5163593
2-[4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]pyrimidine
CID 2738375
2-[4-(6-chloro-5-methyl-3-pyridinyl)piperazin-1-yl]pyrimidine
CID 82225033
5-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-2-amine
CID 43318150
(4-pyrimidin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295154
1-[2-(chloromethyl)-4-pyridinyl]-4-(4-chlorophenyl)piperazine
CID 61255753
4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 80754256
1-(3-bromo-5-chloro-2-pyridinyl)-4-(4-chlorophenyl)piperazine
CID 114836681
N-[(4-chlorophenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide
CID 969906
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 143237953

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine (CID 47439803) is 2-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine is Clc1ccc(N2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine?
The InChIKey is IRZNEVTXXMJKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4/c15-12-2-4-13(5-3-12)18-8-10-19(11-9-18)14-16-6-1-7-17-14/h1-7H,8-11H2.
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine?
2-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine has a molecular weight of 274.75 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 47439803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).