1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]azetidin-3-yl]piperazine

C15H21ClFN3 — CID 66202018

IUPAC1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]azetidin-3-yl]piperazine
SMILESCC(c1ccc(F)c(Cl)c1)N1CC(N2CCNCC2)C1
InChIInChI=1S/C15H21ClFN3/c1-11(12-2-3-15(17)14(16)8-12)20-9-13(10-20)19-6-4-18-5-7-19/h2-3,8,11,13,18H,4-7,9-10H2,1H3
InChIKeyBNBKBXQSRBHKRJ-UHFFFAOYSA-N
MW297.81 g/mol
LogP2.13
Rot. Bonds3

About 1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]azetidin-3-yl]piperazine

1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]azetidin-3-yl]piperazine (PubChem CID 66202018) has the molecular formula C15H21ClFN3 and a molecular weight of 297.81 g/mol. Its IUPAC name is 1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]azetidin-3-yl]piperazine
PubChem CID66202018
Molecular FormulaC15H21ClFN3
Molecular Weight297.81 g/mol
Exact Mass297.14
IUPAC Name1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]azetidin-3-yl]piperazine
SMILESCC(c1ccc(F)c(Cl)c1)N1CC(N2CCNCC2)C1
InChIInChI=1S/C15H21ClFN3/c1-11(12-2-3-15(17)14(16)8-12)20-9-13(10-20)19-6-4-18-5-7-19/h2-3,8,11,13,18H,4-7,9-10H2,1H3
InChIKeyBNBKBXQSRBHKRJ-UHFFFAOYSA-N
XLogP2.13
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]azetidin-3-yl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(3-chloro-4-fluorophenyl)ethyl]piperazine
CID 61057488
1-[1-[1-(4-methoxyphenyl)ethyl]azetidin-3-yl]piperazine
CID 66203957
1-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171166411
1-[1-[(3-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine
CID 81154667
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylpentyl]piperazine
CID 171168893
1-(3-chloro-4-fluorophenyl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954827
1-[(1S)-1-(3-chloro-4-fluorophenyl)propyl]piperazine
CID 96664875
1-[(1R)-1-(3-chloro-4-fluorophenyl)butyl]piperazine;hydrochloride
CID 171168852
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304375
1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 60979360
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274950
1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263345

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]azetidin-3-yl]piperazine (CID 66202018) is 1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]azetidin-3-yl]piperazine is CC(c1ccc(F)c(Cl)c1)N1CC(N2CCNCC2)C1.
What is the InChIKey of 1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]azetidin-3-yl]piperazine?
The InChIKey is BNBKBXQSRBHKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN3/c1-11(12-2-3-15(17)14(16)8-12)20-9-13(10-20)19-6-4-18-5-7-19/h2-3,8,11,13,18H,4-7,9-10H2,1H3.
What are the key properties of 1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]azetidin-3-yl]piperazine?
1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]azetidin-3-yl]piperazine has a molecular weight of 297.81 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]azetidin-3-yl]piperazine is sourced from PubChem (CID 66202018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).