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

C18H29N3 — CID 66201258

IUPAC1-[1-[1-(4-ethylphenyl)propyl]azetidin-3-yl]piperazine
SMILESCCc1ccc(C(CC)N2CC(N3CCNCC3)C2)cc1
InChIInChI=1S/C18H29N3/c1-3-15-5-7-16(8-6-15)18(4-2)21-13-17(14-21)20-11-9-19-10-12-20/h5-8,17-19H,3-4,9-14H2,1-2H3
InChIKeyAQNQXIKRHCQCHR-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.29
Rot. Bonds5

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

1-[1-[1-(4-ethylphenyl)propyl]azetidin-3-yl]piperazine (PubChem CID 66201258) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[1-[1-(4-ethylphenyl)propyl]azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[1-(4-ethylphenyl)propyl]azetidin-3-yl]piperazine
PubChem CID66201258
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-[1-[1-(4-ethylphenyl)propyl]azetidin-3-yl]piperazine
SMILESCCc1ccc(C(CC)N2CC(N3CCNCC3)C2)cc1
InChIInChI=1S/C18H29N3/c1-3-15-5-7-16(8-6-15)18(4-2)21-13-17(14-21)20-11-9-19-10-12-20/h5-8,17-19H,3-4,9-14H2,1-2H3
InChIKeyAQNQXIKRHCQCHR-UHFFFAOYSA-N
XLogP2.29
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]piperazine
CID 66202216
1-[(1R)-1-(4-ethylphenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303945
1-[1-(4-butylphenyl)propyl]piperazine
CID 112512741
1-[(1R)-1-(4-fluorophenyl)propyl]piperazine
CID 28798751
(4aS,7aS)-6-[1-(4-ethylphenyl)propyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678734
1-[(1R)-1-(4-ethylphenyl)but-3-enyl]piperazine
CID 171293770
1-[(1S)-1-(4-ethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171180890
1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171294154
1-[(1R)-1-(4-ethylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171303944
1-[(1S)-1-(4-ethylphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171281149
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514
1-[(1R)-1-(4-ethylphenyl)-2,2-difluoroethyl]piperazine
CID 171281145

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-ethylphenyl)propyl]azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-[1-(4-ethylphenyl)propyl]azetidin-3-yl]piperazine (CID 66201258) is 1-[1-[1-(4-ethylphenyl)propyl]azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[1-(4-ethylphenyl)propyl]azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[1-(4-ethylphenyl)propyl]azetidin-3-yl]piperazine is CCc1ccc(C(CC)N2CC(N3CCNCC3)C2)cc1.
What is the InChIKey of 1-[1-[1-(4-ethylphenyl)propyl]azetidin-3-yl]piperazine?
The InChIKey is AQNQXIKRHCQCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-3-15-5-7-16(8-6-15)18(4-2)21-13-17(14-21)20-11-9-19-10-12-20/h5-8,17-19H,3-4,9-14H2,1-2H3.
What are the key properties of 1-[1-[1-(4-ethylphenyl)propyl]azetidin-3-yl]piperazine?
1-[1-[1-(4-ethylphenyl)propyl]azetidin-3-yl]piperazine has a molecular weight of 287.45 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(4-ethylphenyl)propyl]azetidin-3-yl]piperazine is sourced from PubChem (CID 66201258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).