1-[(2,6-dichlorophenyl)methyl]piperazine

C11H14Cl2N2 — CID 770796

IUPAC1-[(2,6-dichlorophenyl)methyl]piperazine
SMILESClc1cccc(Cl)c1CN1CCNCC1
InChIInChI=1S/C11H14Cl2N2/c12-10-2-1-3-11(13)9(10)8-15-6-4-14-5-7-15/h1-3,14H,4-8H2
InChIKeyWQTPGHSKQDVCQQ-UHFFFAOYSA-N
MW245.15 g/mol
LogP2.40
Rot. Bonds2

About 1-[(2,6-dichlorophenyl)methyl]piperazine

1-[(2,6-dichlorophenyl)methyl]piperazine (PubChem CID 770796) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]piperazine
PubChem CID770796
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC Name1-[(2,6-dichlorophenyl)methyl]piperazine
SMILESClc1cccc(Cl)c1CN1CCNCC1
InChIInChI=1S/C11H14Cl2N2/c12-10-2-1-3-11(13)9(10)8-15-6-4-14-5-7-15/h1-3,14H,4-8H2
InChIKeyWQTPGHSKQDVCQQ-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]azepane
CID 22198064
1-(azetidin-3-yl)-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 66202514
4-[(2,6-dichlorophenyl)methyl]piperazin-2-one
CID 8962883
1-[(2-chloro-6-fluorophenyl)methyl]-1,5-diazocane
CID 95049087
1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 22195537
3-chloro-6-methyl-2-(piperazin-1-ylmethyl)aniline
CID 82511287
2-(bromomethyl)-1,3-dichlorobenzene;tert-butyl 4-[(2,6-dichlorophenyl)methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-[(2,6-dichlorophenyl)methyl]piperazine
CID 158128069
1-[(3-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazine;piperazine
CID 174835848
1-[(7-chloro-1-benzofuran-2-yl)methyl]piperazine
CID 115004527
(3aS,6aR)-5-[(2,6-dichlorophenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042182
1-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 782911
azane;1-benzylpiperazine
CID 174866973

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]piperazine?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]piperazine (CID 770796) is 1-[(2,6-dichlorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]piperazine is Clc1cccc(Cl)c1CN1CCNCC1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]piperazine?
The InChIKey is WQTPGHSKQDVCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2/c12-10-2-1-3-11(13)9(10)8-15-6-4-14-5-7-15/h1-3,14H,4-8H2.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]piperazine?
1-[(2,6-dichlorophenyl)methyl]piperazine has a molecular weight of 245.15 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]piperazine is sourced from PubChem (CID 770796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).