1-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]piperazine

C16H24ClN3O — CID 66196373

IUPAC1-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]piperazine
SMILESClc1ccc(OCCCN2CC(N3CCNCC3)C2)cc1
InChIInChI=1S/C16H24ClN3O/c17-14-2-4-16(5-3-14)21-11-1-8-19-12-15(13-19)20-9-6-18-7-10-20/h2-5,15,18H,1,6-13H2
InChIKeyQDRYMELSGLEGRE-UHFFFAOYSA-N
MW309.84 g/mol
LogP1.70
Rot. Bonds6

About 1-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]piperazine

1-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]piperazine (PubChem CID 66196373) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]piperazine
PubChem CID66196373
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name1-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]piperazine
SMILESClc1ccc(OCCCN2CC(N3CCNCC3)C2)cc1
InChIInChI=1S/C16H24ClN3O/c17-14-2-4-16(5-3-14)21-11-1-8-19-12-15(13-19)20-9-6-18-7-10-20/h2-5,15,18H,1,6-13H2
InChIKeyQDRYMELSGLEGRE-UHFFFAOYSA-N
XLogP1.70
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-[3-(3-methylphenoxy)propyl]azetidin-3-yl]piperazine
CID 66195592
1-[3-(4-chlorophenoxy)propyl]-3,5-dimethylpiperazine
CID 63872390
1-[1-[2-(2-bromo-4-chlorophenoxy)ethyl]azetidin-3-yl]piperazine
CID 66195593
1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine
CID 138636815
2-[2-(4-chlorophenoxy)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49235631
1-(3-phenoxypropyl)piperazine
CID 2760351
7-[3-[4-(4-chlorophenyl)piperidin-1-yl]propoxy]-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
CID 44536677
1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine
CID 159435771
1-[2-(4-chlorophenoxy)ethyl]azetidin-3-ol
CID 63091463
(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine
CID 96925924
2-[1-[3-(4-chlorophenoxy)propyl]pyrrolidin-3-yl]ethanol
CID 115648137
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]piperazine (CID 66196373) is 1-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]piperazine is Clc1ccc(OCCCN2CC(N3CCNCC3)C2)cc1.
What is the InChIKey of 1-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]piperazine?
The InChIKey is QDRYMELSGLEGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c17-14-2-4-16(5-3-14)21-11-1-8-19-12-15(13-19)20-9-6-18-7-10-20/h2-5,15,18H,1,6-13H2.
What are the key properties of 1-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]piperazine?
1-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]piperazine has a molecular weight of 309.84 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]piperazine is sourced from PubChem (CID 66196373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).