1-[1-[3-(3-methylphenoxy)propyl]azetidin-3-yl]piperazine

C17H27N3O — CID 66195592

IUPAC1-[1-[3-(3-methylphenoxy)propyl]azetidin-3-yl]piperazine
SMILESCc1cccc(OCCCN2CC(N3CCNCC3)C2)c1
InChIInChI=1S/C17H27N3O/c1-15-4-2-5-17(12-15)21-11-3-8-19-13-16(14-19)20-9-6-18-7-10-20/h2,4-5,12,16,18H,3,6-11,13-14H2,1H3
InChIKeyZENNYFDMIFCNGF-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.35
Rot. Bonds6

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

1-[1-[3-(3-methylphenoxy)propyl]azetidin-3-yl]piperazine (PubChem CID 66195592) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[1-[3-(3-methylphenoxy)propyl]azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[3-(3-methylphenoxy)propyl]azetidin-3-yl]piperazine
PubChem CID66195592
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-[1-[3-(3-methylphenoxy)propyl]azetidin-3-yl]piperazine
SMILESCc1cccc(OCCCN2CC(N3CCNCC3)C2)c1
InChIInChI=1S/C17H27N3O/c1-15-4-2-5-17(12-15)21-11-3-8-19-13-16(14-19)20-9-6-18-7-10-20/h2,4-5,12,16,18H,3,6-11,13-14H2,1H3
InChIKeyZENNYFDMIFCNGF-UHFFFAOYSA-N
XLogP1.35
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.35
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-(4-chlorophenoxy)propyl]azetidin-3-yl]piperazine
CID 66196373
2-[2-(3-methylphenoxy)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49235633
5-[2-(3-methylphenoxy)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60916021
1-[3-(3-methylphenoxy)propyl]piperidin-4-ol
CID 39352208
2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]ethanol
CID 60669962
[4-methyl-1-[3-(3-methylphenoxy)propyl]piperidin-3-yl]methanamine
CID 114961293
(3S)-3-methyl-1-[2-(3-methylphenoxy)ethyl]piperazine
CID 51980514
1-[6-(3-methylphenoxy)hexyl]pyrrolidine
CID 2057335
4-methyl-1-[3-(3-methylphenoxy)propyl]pyrrolidine-3-carboxylic acid
CID 63721052
1-[3-(3-methylphenoxy)propyl]piperidine-4-carboxylic acid
CID 43441464
(2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 51970005
3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402035

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(3-methylphenoxy)propyl]azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-[3-(3-methylphenoxy)propyl]azetidin-3-yl]piperazine (CID 66195592) is 1-[1-[3-(3-methylphenoxy)propyl]azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[3-(3-methylphenoxy)propyl]azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[3-(3-methylphenoxy)propyl]azetidin-3-yl]piperazine is Cc1cccc(OCCCN2CC(N3CCNCC3)C2)c1.
What is the InChIKey of 1-[1-[3-(3-methylphenoxy)propyl]azetidin-3-yl]piperazine?
The InChIKey is ZENNYFDMIFCNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-15-4-2-5-17(12-15)21-11-3-8-19-13-16(14-19)20-9-6-18-7-10-20/h2,4-5,12,16,18H,3,6-11,13-14H2,1H3.
What are the key properties of 1-[1-[3-(3-methylphenoxy)propyl]azetidin-3-yl]piperazine?
1-[1-[3-(3-methylphenoxy)propyl]azetidin-3-yl]piperazine has a molecular weight of 289.42 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(3-methylphenoxy)propyl]azetidin-3-yl]piperazine is sourced from PubChem (CID 66195592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).