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

C14H19ClFN3 — CID 81154667

IUPAC1-[1-[(3-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine
SMILESFc1ccc(CN2CC(N3CCNCC3)C2)cc1Cl
InChIInChI=1S/C14H19ClFN3/c15-13-7-11(1-2-14(13)16)8-18-9-12(10-18)19-5-3-17-4-6-19/h1-2,7,12,17H,3-6,8-10H2
InChIKeyKPJWTIHTLBLEHM-UHFFFAOYSA-N
MW283.78 g/mol
LogP1.57
Rot. Bonds3

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

1-[1-[(3-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine (PubChem CID 81154667) has the molecular formula C14H19ClFN3 and a molecular weight of 283.78 g/mol. Its IUPAC name is 1-[1-[(3-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[(3-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine
PubChem CID81154667
Molecular FormulaC14H19ClFN3
Molecular Weight283.78 g/mol
Exact Mass283.13
IUPAC Name1-[1-[(3-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine
SMILESFc1ccc(CN2CC(N3CCNCC3)C2)cc1Cl
InChIInChI=1S/C14H19ClFN3/c15-13-7-11(1-2-14(13)16)8-18-9-12(10-18)19-5-3-17-4-6-19/h1-2,7,12,17H,3-6,8-10H2
InChIKeyKPJWTIHTLBLEHM-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-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 19618115
1-[1-[(3,4,5-trifluorophenyl)methyl]azetidin-3-yl]piperazine
CID 66202797
1-[1-[(2-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine
CID 66195617
1-[(3-chloro-4-fluorophenyl)methyl]azetidine
CID 126990716
1-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]piperazine
CID 66203000
1-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol
CID 70735974
1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]azetidin-3-yl]piperazine
CID 66202018
1-[1-[(3-chloro-4-nitrophenyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968007
N-[4-[(3-piperazin-1-ylazetidin-1-yl)methyl]phenyl]acetamide
CID 66203384
1-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]piperazine
CID 79970782
(3S,4R)-1-[(3-chloro-4-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid
CID 134706937
1-[(3-chloro-4-fluorophenyl)methyl]-2,2-dimethylpiperazine
CID 81154666

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-[(3-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine (CID 81154667) is 1-[1-[(3-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[(3-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[(3-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine is Fc1ccc(CN2CC(N3CCNCC3)C2)cc1Cl.
What is the InChIKey of 1-[1-[(3-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine?
The InChIKey is KPJWTIHTLBLEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN3/c15-13-7-11(1-2-14(13)16)8-18-9-12(10-18)19-5-3-17-4-6-19/h1-2,7,12,17H,3-6,8-10H2.
What are the key properties of 1-[1-[(3-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine?
1-[1-[(3-chloro-4-fluorophenyl)methyl]azetidin-3-yl]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-[1-[(3-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine is sourced from PubChem (CID 81154667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).