1-(azetidin-3-yl)-4-[(2,6-dichlorophenyl)methyl]piperazine

C14H19Cl2N3 — CID 66202514

IUPAC1-(azetidin-3-yl)-4-[(2,6-dichlorophenyl)methyl]piperazine
SMILESClc1cccc(Cl)c1CN1CCN(C2CNC2)CC1
InChIInChI=1S/C14H19Cl2N3/c15-13-2-1-3-14(16)12(13)10-18-4-6-19(7-5-18)11-8-17-9-11/h1-3,11,17H,4-10H2
InChIKeyCLNFGLMDBGVELA-UHFFFAOYSA-N
MW300.23 g/mol
LogP2.08
Rot. Bonds3

About 1-(azetidin-3-yl)-4-[(2,6-dichlorophenyl)methyl]piperazine

1-(azetidin-3-yl)-4-[(2,6-dichlorophenyl)methyl]piperazine (PubChem CID 66202514) has the molecular formula C14H19Cl2N3 and a molecular weight of 300.23 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-[(2,6-dichlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-[(2,6-dichlorophenyl)methyl]piperazine
PubChem CID66202514
Molecular FormulaC14H19Cl2N3
Molecular Weight300.23 g/mol
Exact Mass299.10
IUPAC Name1-(azetidin-3-yl)-4-[(2,6-dichlorophenyl)methyl]piperazine
SMILESClc1cccc(Cl)c1CN1CCN(C2CNC2)CC1
InChIInChI=1S/C14H19Cl2N3/c15-13-2-1-3-14(16)12(13)10-18-4-6-19(7-5-18)11-8-17-9-11/h1-3,11,17H,4-10H2
InChIKeyCLNFGLMDBGVELA-UHFFFAOYSA-N
XLogP2.08
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]piperazine
CID 770796
(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]azepane
CID 22198064
1-(azetidin-3-yl)-4-[(2-chloro-5-fluorophenyl)methyl]piperazine
CID 102616996
1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 22195537
[4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]phenyl]-trimethylsilane
CID 103438191
1-(azetidin-3-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 66202708
1-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 782911
4-[(2,6-dichlorophenyl)methyl]piperazine-1-sulfonamide
CID 47147117
2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]quinoline
CID 66201727
1-(azetidin-3-yl)-4-[(4,5-dibromofuran-2-yl)methyl]piperazine
CID 66202696
1-(azetidin-3-yl)-4-(2-phenylethyl)piperazine
CID 66202494

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-[(2,6-dichlorophenyl)methyl]piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-[(2,6-dichlorophenyl)methyl]piperazine (CID 66202514) is 1-(azetidin-3-yl)-4-[(2,6-dichlorophenyl)methyl]piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-[(2,6-dichlorophenyl)methyl]piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-[(2,6-dichlorophenyl)methyl]piperazine is Clc1cccc(Cl)c1CN1CCN(C2CNC2)CC1.
What is the InChIKey of 1-(azetidin-3-yl)-4-[(2,6-dichlorophenyl)methyl]piperazine?
The InChIKey is CLNFGLMDBGVELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3/c15-13-2-1-3-14(16)12(13)10-18-4-6-19(7-5-18)11-8-17-9-11/h1-3,11,17H,4-10H2.
What are the key properties of 1-(azetidin-3-yl)-4-[(2,6-dichlorophenyl)methyl]piperazine?
1-(azetidin-3-yl)-4-[(2,6-dichlorophenyl)methyl]piperazine has a molecular weight of 300.23 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-[(2,6-dichlorophenyl)methyl]piperazine is sourced from PubChem (CID 66202514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).