1-[(2,4-dichlorophenyl)-pyridin-4-ylmethyl]piperazine

C16H17Cl2N3 — CID 3272834

IUPAC1-[(2,4-dichlorophenyl)-pyridin-4-ylmethyl]piperazine
SMILESClc1ccc(C(c2ccncc2)N2CCNCC2)c(Cl)c1
InChIInChI=1S/C16H17Cl2N3/c17-13-1-2-14(15(18)11-13)16(12-3-5-19-6-4-12)21-9-7-20-8-10-21/h1-6,11,16,20H,7-10H2
InChIKeyUOFONQBJYOVOFR-UHFFFAOYSA-N
MW322.24 g/mol
LogP3.38
Rot. Bonds3

About 1-[(2,4-dichlorophenyl)-pyridin-4-ylmethyl]piperazine

1-[(2,4-dichlorophenyl)-pyridin-4-ylmethyl]piperazine (PubChem CID 3272834) has the molecular formula C16H17Cl2N3 and a molecular weight of 322.24 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)-pyridin-4-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)-pyridin-4-ylmethyl]piperazine
PubChem CID3272834
Molecular FormulaC16H17Cl2N3
Molecular Weight322.24 g/mol
Exact Mass321.08
IUPAC Name1-[(2,4-dichlorophenyl)-pyridin-4-ylmethyl]piperazine
SMILESClc1ccc(C(c2ccncc2)N2CCNCC2)c(Cl)c1
InChIInChI=1S/C16H17Cl2N3/c17-13-1-2-14(15(18)11-13)16(12-3-5-19-6-4-12)21-9-7-20-8-10-21/h1-6,11,16,20H,7-10H2
InChIKeyUOFONQBJYOVOFR-UHFFFAOYSA-N
XLogP3.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[bis(2,4-dichlorophenyl)methyl]piperazine
CID 3373425
1-[(3-chlorophenyl)-(2,4-dichlorophenyl)methyl]-1,4-diazepane
CID 3791498
1-[(2,5-dichlorophenyl)-(4-methylphenyl)methyl]piperazine
CID 4738696
1-[(2,3-dichlorophenyl)-(2,4-dichlorophenyl)methyl]piperazine
CID 3541146
1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
CID 4594125
4-[(2,4-dichlorophenyl)-piperazin-1-ylmethyl]quinoline
CID 4209519
1-[(2,4-dichlorophenyl)-(3-phenoxyphenyl)methyl]piperazine
CID 3597593
1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3779919
1-[phenyl(pyridin-4-yl)methyl]piperazine
CID 5035634
1-[(2-chloro-4-fluorophenyl)-phenylmethyl]piperazine
CID 45277417
1-[(2,4-dichlorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3297295
1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 3567529

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)-pyridin-4-ylmethyl]piperazine?
The IUPAC name of 1-[(2,4-dichlorophenyl)-pyridin-4-ylmethyl]piperazine (CID 3272834) is 1-[(2,4-dichlorophenyl)-pyridin-4-ylmethyl]piperazine.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)-pyridin-4-ylmethyl]piperazine?
The canonical SMILES for 1-[(2,4-dichlorophenyl)-pyridin-4-ylmethyl]piperazine is Clc1ccc(C(c2ccncc2)N2CCNCC2)c(Cl)c1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)-pyridin-4-ylmethyl]piperazine?
The InChIKey is UOFONQBJYOVOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3/c17-13-1-2-14(15(18)11-13)16(12-3-5-19-6-4-12)21-9-7-20-8-10-21/h1-6,11,16,20H,7-10H2.
What are the key properties of 1-[(2,4-dichlorophenyl)-pyridin-4-ylmethyl]piperazine?
1-[(2,4-dichlorophenyl)-pyridin-4-ylmethyl]piperazine has a molecular weight of 322.24 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)-pyridin-4-ylmethyl]piperazine is sourced from PubChem (CID 3272834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).