1-[1-[(2,4,6-trimethylphenyl)methyl]azetidin-3-yl]piperazine

C17H27N3 — CID 66201053

IUPAC1-[1-[(2,4,6-trimethylphenyl)methyl]azetidin-3-yl]piperazine
SMILESCc1cc(C)c(CN2CC(N3CCNCC3)C2)c(C)c1
InChIInChI=1S/C17H27N3/c1-13-8-14(2)17(15(3)9-13)12-19-10-16(11-19)20-6-4-18-5-7-20/h8-9,16,18H,4-7,10-12H2,1-3H3
InChIKeyCVODRFQHMQGEFK-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.70
Rot. Bonds3

About 1-[1-[(2,4,6-trimethylphenyl)methyl]azetidin-3-yl]piperazine

1-[1-[(2,4,6-trimethylphenyl)methyl]azetidin-3-yl]piperazine (PubChem CID 66201053) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[1-[(2,4,6-trimethylphenyl)methyl]azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[(2,4,6-trimethylphenyl)methyl]azetidin-3-yl]piperazine
PubChem CID66201053
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-[1-[(2,4,6-trimethylphenyl)methyl]azetidin-3-yl]piperazine
SMILESCc1cc(C)c(CN2CC(N3CCNCC3)C2)c(C)c1
InChIInChI=1S/C17H27N3/c1-13-8-14(2)17(15(3)9-13)12-19-10-16(11-19)20-6-4-18-5-7-20/h8-9,16,18H,4-7,10-12H2,1-3H3
InChIKeyCVODRFQHMQGEFK-UHFFFAOYSA-N
XLogP1.70
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4,6-trimethylphenyl)methyl]azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-[(2,4,6-trimethylphenyl)methyl]azetidin-3-yl]piperazine (CID 66201053) is 1-[1-[(2,4,6-trimethylphenyl)methyl]azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[(2,4,6-trimethylphenyl)methyl]azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[(2,4,6-trimethylphenyl)methyl]azetidin-3-yl]piperazine is Cc1cc(C)c(CN2CC(N3CCNCC3)C2)c(C)c1.
What is the InChIKey of 1-[1-[(2,4,6-trimethylphenyl)methyl]azetidin-3-yl]piperazine?
The InChIKey is CVODRFQHMQGEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-13-8-14(2)17(15(3)9-13)12-19-10-16(11-19)20-6-4-18-5-7-20/h8-9,16,18H,4-7,10-12H2,1-3H3.
What are the key properties of 1-[1-[(2,4,6-trimethylphenyl)methyl]azetidin-3-yl]piperazine?
1-[1-[(2,4,6-trimethylphenyl)methyl]azetidin-3-yl]piperazine has a molecular weight of 273.42 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4,6-trimethylphenyl)methyl]azetidin-3-yl]piperazine is sourced from PubChem (CID 66201053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).