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

C16H25N3O — CID 66203957

IUPAC1-[1-[1-(4-methoxyphenyl)ethyl]azetidin-3-yl]piperazine
SMILESCOc1ccc(C(C)N2CC(N3CCNCC3)C2)cc1
InChIInChI=1S/C16H25N3O/c1-13(14-3-5-16(20-2)6-4-14)19-11-15(12-19)18-9-7-17-8-10-18/h3-6,13,15,17H,7-12H2,1-2H3
InChIKeyNBKUIFZPRFASMS-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.35
Rot. Bonds4

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

1-[1-[1-(4-methoxyphenyl)ethyl]azetidin-3-yl]piperazine (PubChem CID 66203957) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[1-[1-(4-methoxyphenyl)ethyl]azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[1-(4-methoxyphenyl)ethyl]azetidin-3-yl]piperazine
PubChem CID66203957
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[1-[1-(4-methoxyphenyl)ethyl]azetidin-3-yl]piperazine
SMILESCOc1ccc(C(C)N2CC(N3CCNCC3)C2)cc1
InChIInChI=1S/C16H25N3O/c1-13(14-3-5-16(20-2)6-4-14)19-11-15(12-19)18-9-7-17-8-10-18/h3-6,13,15,17H,7-12H2,1-2H3
InChIKeyNBKUIFZPRFASMS-UHFFFAOYSA-N
XLogP1.35
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine
CID 7047764
1-(azetidin-3-yl)-4-[1-(4-methoxyphenyl)ethyl]piperazine
CID 66202895
1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]piperazine
CID 171286074
1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]azetidin-3-yl]piperazine
CID 66202018
2-(4-methoxyphenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120996072
1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine
CID 3987731
(4-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939730
1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171309970
1-[1-[1-(1-benzofuran-2-yl)ethyl]azetidin-3-yl]piperazine
CID 66201644
1-[1-[1-(2,5-dimethylphenyl)ethyl]azetidin-3-yl]piperazine
CID 66201448
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171181751
1-[(1S)-2,2-difluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171287219

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-methoxyphenyl)ethyl]azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-[1-(4-methoxyphenyl)ethyl]azetidin-3-yl]piperazine (CID 66203957) is 1-[1-[1-(4-methoxyphenyl)ethyl]azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[1-(4-methoxyphenyl)ethyl]azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[1-(4-methoxyphenyl)ethyl]azetidin-3-yl]piperazine is COc1ccc(C(C)N2CC(N3CCNCC3)C2)cc1.
What is the InChIKey of 1-[1-[1-(4-methoxyphenyl)ethyl]azetidin-3-yl]piperazine?
The InChIKey is NBKUIFZPRFASMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(14-3-5-16(20-2)6-4-14)19-11-15(12-19)18-9-7-17-8-10-18/h3-6,13,15,17H,7-12H2,1-2H3.
What are the key properties of 1-[1-[1-(4-methoxyphenyl)ethyl]azetidin-3-yl]piperazine?
1-[1-[1-(4-methoxyphenyl)ethyl]azetidin-3-yl]piperazine has a molecular weight of 275.40 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(4-methoxyphenyl)ethyl]azetidin-3-yl]piperazine is sourced from PubChem (CID 66203957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).