1-[1-(2-phenylethyl)azetidin-3-yl]piperazine

C15H23N3 — CID 66203365

IUPAC1-[1-(2-phenylethyl)azetidin-3-yl]piperazine
SMILESc1ccc(CCN2CC(N3CCNCC3)C2)cc1
InChIInChI=1S/C15H23N3/c1-2-4-14(5-3-1)6-9-17-12-15(13-17)18-10-7-16-8-11-18/h1-5,15-16H,6-13H2
InChIKeyBQIAJAVTDSWZGW-UHFFFAOYSA-N
MW245.37 g/mol
LogP0.82
Rot. Bonds4

About 1-[1-(2-phenylethyl)azetidin-3-yl]piperazine

1-[1-(2-phenylethyl)azetidin-3-yl]piperazine (PubChem CID 66203365) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[1-(2-phenylethyl)azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-(2-phenylethyl)azetidin-3-yl]piperazine
PubChem CID66203365
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-[1-(2-phenylethyl)azetidin-3-yl]piperazine
SMILESc1ccc(CCN2CC(N3CCNCC3)C2)cc1
InChIInChI=1S/C15H23N3/c1-2-4-14(5-3-1)6-9-17-12-15(13-17)18-10-7-16-8-11-18/h1-5,15-16H,6-13H2
InChIKeyBQIAJAVTDSWZGW-UHFFFAOYSA-N
XLogP0.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
1-[1-(2-thiophen-3-ylethyl)azetidin-3-yl]piperazine
CID 66194837
1-(azetidin-3-yl)-4-(2-phenylethyl)piperazine
CID 66202494
1-[1-(4-phenylbutan-2-yl)azetidin-3-yl]piperazine
CID 66202032
5-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60971520
1-(2-phenylethyl)-1,4,8,11-tetrazacyclotetradecane
CID 14869439
2-(2-phenylethyl)-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 13162074
(3S)-3-methyl-1-(2-phenylethyl)piperazine
CID 95243884
3-(2-phenylethyl)-6-oxa-3-azabicyclo[3.1.0]hexane
CID 54116015
1-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]piperazine
CID 79970782
(3aR,6aS)-5-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;propane
CID 144963091
3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982352

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenylethyl)azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-(2-phenylethyl)azetidin-3-yl]piperazine (CID 66203365) is 1-[1-(2-phenylethyl)azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-(2-phenylethyl)azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-(2-phenylethyl)azetidin-3-yl]piperazine is c1ccc(CCN2CC(N3CCNCC3)C2)cc1.
What is the InChIKey of 1-[1-(2-phenylethyl)azetidin-3-yl]piperazine?
The InChIKey is BQIAJAVTDSWZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-4-14(5-3-1)6-9-17-12-15(13-17)18-10-7-16-8-11-18/h1-5,15-16H,6-13H2.
What are the key properties of 1-[1-(2-phenylethyl)azetidin-3-yl]piperazine?
1-[1-(2-phenylethyl)azetidin-3-yl]piperazine has a molecular weight of 245.37 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenylethyl)azetidin-3-yl]piperazine is sourced from PubChem (CID 66203365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).