3-tert-butyl-1-(2-chloro-5-methoxyphenyl)piperazine

C15H23ClN2O — CID 64954717

IUPAC3-tert-butyl-1-(2-chloro-5-methoxyphenyl)piperazine
SMILESCOc1ccc(Cl)c(N2CCNC(C(C)(C)C)C2)c1
InChIInChI=1S/C15H23ClN2O/c1-15(2,3)14-10-18(8-7-17-14)13-9-11(19-4)5-6-12(13)16/h5-6,9,14,17H,7-8,10H2,1-4H3
InChIKeyALFYVQWLVDYMHT-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.17
Rot. Bonds2

About 3-tert-butyl-1-(2-chloro-5-methoxyphenyl)piperazine

3-tert-butyl-1-(2-chloro-5-methoxyphenyl)piperazine (PubChem CID 64954717) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 3-tert-butyl-1-(2-chloro-5-methoxyphenyl)piperazine.

Molecular Properties

Compound Name3-tert-butyl-1-(2-chloro-5-methoxyphenyl)piperazine
PubChem CID64954717
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name3-tert-butyl-1-(2-chloro-5-methoxyphenyl)piperazine
SMILESCOc1ccc(Cl)c(N2CCNC(C(C)(C)C)C2)c1
InChIInChI=1S/C15H23ClN2O/c1-15(2,3)14-10-18(8-7-17-14)13-9-11(19-4)5-6-12(13)16/h5-6,9,14,17H,7-8,10H2,1-4H3
InChIKeyALFYVQWLVDYMHT-UHFFFAOYSA-N
XLogP3.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-1-(2,4-dichlorophenyl)piperazine
CID 64925260
1-(2-chloro-5-methoxyphenyl)piperazine
CID 18663028
5-tert-butyl-1-(2-chloro-5-methoxyphenyl)-2-ethylpiperazine
CID 64947479
3-tert-butyl-1-(3-chloro-2-fluorophenyl)piperazine
CID 64925681
3-tert-butyl-1-(2,6-dichlorophenyl)piperazine
CID 65499109
3-tert-butyl-1-(5-chloro-2-methoxyphenyl)-1,4-diazepane
CID 64944939
3-tert-butyl-1-(2,3,4-trifluorophenyl)piperazine
CID 64924586
N-[[1-(2-chloro-5-methoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 62513267
3-cyclopropyl-1-(2,5-dimethoxyphenyl)piperazine
CID 64925366
(3R)-1-(5-methoxy-2-nitrophenyl)-3-methylpiperazine
CID 104976205
4-(3-tert-butylpiperazin-1-yl)-6-[(4-methoxyphenyl)methoxy]-2-pyridin-4-ylpyrimidine
CID 134382769
3-cyclopropyl-1-(2,4-dimethoxyphenyl)piperazine
CID 64924196

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2-chloro-5-methoxyphenyl)piperazine?
The IUPAC name of 3-tert-butyl-1-(2-chloro-5-methoxyphenyl)piperazine (CID 64954717) is 3-tert-butyl-1-(2-chloro-5-methoxyphenyl)piperazine.
What is the SMILES notation for 3-tert-butyl-1-(2-chloro-5-methoxyphenyl)piperazine?
The canonical SMILES for 3-tert-butyl-1-(2-chloro-5-methoxyphenyl)piperazine is COc1ccc(Cl)c(N2CCNC(C(C)(C)C)C2)c1.
What is the InChIKey of 3-tert-butyl-1-(2-chloro-5-methoxyphenyl)piperazine?
The InChIKey is ALFYVQWLVDYMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-15(2,3)14-10-18(8-7-17-14)13-9-11(19-4)5-6-12(13)16/h5-6,9,14,17H,7-8,10H2,1-4H3.
What are the key properties of 3-tert-butyl-1-(2-chloro-5-methoxyphenyl)piperazine?
3-tert-butyl-1-(2-chloro-5-methoxyphenyl)piperazine has a molecular weight of 282.81 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2-chloro-5-methoxyphenyl)piperazine is sourced from PubChem (CID 64954717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).