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

C16H25N3O — CID 66202895

IUPAC1-(azetidin-3-yl)-4-[1-(4-methoxyphenyl)ethyl]piperazine
SMILESCOc1ccc(C(C)N2CCN(C3CNC3)CC2)cc1
InChIInChI=1S/C16H25N3O/c1-13(14-3-5-16(20-2)6-4-14)18-7-9-19(10-8-18)15-11-17-12-15/h3-6,13,15,17H,7-12H2,1-2H3
InChIKeySRAOXBJTWSTRSS-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.35
Rot. Bonds4

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

1-(azetidin-3-yl)-4-[1-(4-methoxyphenyl)ethyl]piperazine (PubChem CID 66202895) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-[1-(4-methoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-[1-(4-methoxyphenyl)ethyl]piperazine
PubChem CID66202895
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(azetidin-3-yl)-4-[1-(4-methoxyphenyl)ethyl]piperazine
SMILESCOc1ccc(C(C)N2CCN(C3CNC3)CC2)cc1
InChIInChI=1S/C16H25N3O/c1-13(14-3-5-16(20-2)6-4-14)18-7-9-19(10-8-18)15-11-17-12-15/h3-6,13,15,17H,7-12H2,1-2H3
InChIKeySRAOXBJTWSTRSS-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-[1-[1-(4-methoxyphenyl)ethyl]azetidin-3-yl]piperazine
CID 66203957
1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine
CID 7047764
4-[1-[4-(azetidin-3-yl)piperazin-1-yl]ethyl]benzonitrile
CID 66203853
1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]piperazine
CID 171286074
1-(azetidin-3-yl)-4-[1-(1-methylpyrazol-4-yl)ethyl]piperazine
CID 66201540
1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-4-(2-methylphenyl)piperazine
CID 46851398
N-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine
CID 66244684
1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 63251056
1-(azetidin-3-yl)-4-(2-methyl-1-phenylpropyl)piperazine
CID 66203286
1-(azetidin-3-yl)-4-(1-pyridin-2-ylethyl)piperazine
CID 66202131
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-amine
CID 97107115
1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-one
CID 66242832

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-[1-(4-methoxyphenyl)ethyl]piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-[1-(4-methoxyphenyl)ethyl]piperazine (CID 66202895) is 1-(azetidin-3-yl)-4-[1-(4-methoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-[1-(4-methoxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-[1-(4-methoxyphenyl)ethyl]piperazine is COc1ccc(C(C)N2CCN(C3CNC3)CC2)cc1.
What is the InChIKey of 1-(azetidin-3-yl)-4-[1-(4-methoxyphenyl)ethyl]piperazine?
The InChIKey is SRAOXBJTWSTRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(14-3-5-16(20-2)6-4-14)18-7-9-19(10-8-18)15-11-17-12-15/h3-6,13,15,17H,7-12H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-4-[1-(4-methoxyphenyl)ethyl]piperazine?
1-(azetidin-3-yl)-4-[1-(4-methoxyphenyl)ethyl]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-(azetidin-3-yl)-4-[1-(4-methoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 66202895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).