1-(azetidin-3-yl)-4-[(2-chloro-5-fluorophenyl)methyl]piperazine

C14H19ClFN3 — CID 102616996

IUPAC1-(azetidin-3-yl)-4-[(2-chloro-5-fluorophenyl)methyl]piperazine
SMILESFc1ccc(Cl)c(CN2CCN(C3CNC3)CC2)c1
InChIInChI=1S/C14H19ClFN3/c15-14-2-1-12(16)7-11(14)10-18-3-5-19(6-4-18)13-8-17-9-13/h1-2,7,13,17H,3-6,8-10H2
InChIKeyLXQUPPMGFMRMKT-UHFFFAOYSA-N
MW283.78 g/mol
LogP1.57
Rot. Bonds3

About 1-(azetidin-3-yl)-4-[(2-chloro-5-fluorophenyl)methyl]piperazine

1-(azetidin-3-yl)-4-[(2-chloro-5-fluorophenyl)methyl]piperazine (PubChem CID 102616996) has the molecular formula C14H19ClFN3 and a molecular weight of 283.78 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-[(2-chloro-5-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-[(2-chloro-5-fluorophenyl)methyl]piperazine
PubChem CID102616996
Molecular FormulaC14H19ClFN3
Molecular Weight283.78 g/mol
Exact Mass283.13
IUPAC Name1-(azetidin-3-yl)-4-[(2-chloro-5-fluorophenyl)methyl]piperazine
SMILESFc1ccc(Cl)c(CN2CCN(C3CNC3)CC2)c1
InChIInChI=1S/C14H19ClFN3/c15-14-2-1-12(16)7-11(14)10-18-3-5-19(6-4-18)13-8-17-9-13/h1-2,7,13,17H,3-6,8-10H2
InChIKeyLXQUPPMGFMRMKT-UHFFFAOYSA-N
XLogP1.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-3-yl)-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 66202514
1-[1-[(2-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine
CID 66195617
3-bromo-1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidine
CID 102620188
2-[4-[(2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 102616251
1-[2-(2-chloro-5-fluorophenyl)ethyl]piperazine
CID 82622203
1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120966061
1-(azetidin-3-yl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine
CID 66202694
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 102616960
2-[(4-cyclopropylpiperazin-1-yl)methyl]-4-fluorobenzonitrile
CID 103760705
N-[(2-chloro-5-fluorophenyl)methyl]-N-methylazetidin-3-amine
CID 102616994
2-[(2-chloro-5-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120966877
(3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 120967115

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-[(2-chloro-5-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-[(2-chloro-5-fluorophenyl)methyl]piperazine (CID 102616996) is 1-(azetidin-3-yl)-4-[(2-chloro-5-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-[(2-chloro-5-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-[(2-chloro-5-fluorophenyl)methyl]piperazine is Fc1ccc(Cl)c(CN2CCN(C3CNC3)CC2)c1.
What is the InChIKey of 1-(azetidin-3-yl)-4-[(2-chloro-5-fluorophenyl)methyl]piperazine?
The InChIKey is LXQUPPMGFMRMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN3/c15-14-2-1-12(16)7-11(14)10-18-3-5-19(6-4-18)13-8-17-9-13/h1-2,7,13,17H,3-6,8-10H2.
What are the key properties of 1-(azetidin-3-yl)-4-[(2-chloro-5-fluorophenyl)methyl]piperazine?
1-(azetidin-3-yl)-4-[(2-chloro-5-fluorophenyl)methyl]piperazine has a molecular weight of 283.78 g/mol, XLogP of 1.57, 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-chloro-5-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 102616996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).