1-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]piperazine

C16H25ClN2O — CID 82265920

IUPAC1-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]piperazine
SMILESCOc1c(CCN2CCNCC2)cc(Cl)cc1C(C)C
InChIInChI=1S/C16H25ClN2O/c1-12(2)15-11-14(17)10-13(16(15)20-3)4-7-19-8-5-18-6-9-19/h10-12,18H,4-9H2,1-3H3
InChIKeyJSSNTYCIDJGIRO-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.92
Rot. Bonds5

About 1-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]piperazine

1-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]piperazine (PubChem CID 82265920) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]piperazine
PubChem CID82265920
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]piperazine
SMILESCOc1c(CCN2CCNCC2)cc(Cl)cc1C(C)C
InChIInChI=1S/C16H25ClN2O/c1-12(2)15-11-14(17)10-13(16(15)20-3)4-7-19-8-5-18-6-9-19/h10-12,18H,4-9H2,1-3H3
InChIKeyJSSNTYCIDJGIRO-UHFFFAOYSA-N
XLogP2.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458589
1-[2-(5-chloro-3-ethyl-2-methoxyphenyl)ethyl]piperazine
CID 117454705
1-[2-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)ethyl]piperazine
CID 117495669
1-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]piperazine
CID 82267120
1-[2-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethyl]piperazine
CID 117481369
5-chloro-1-(3-chloropropyl)-2-methoxy-3-propan-2-ylbenzene
CID 83938688
1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458584
6-chloro-2-fluoro-3-methoxy-4-(2-piperazin-1-ylethyl)phenol
CID 117466492
1-[2-(5-chloro-2-propan-2-ylsulfanylphenyl)ethyl]piperazine
CID 82264855
1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82551173
1-[2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]ethyl]piperazine
CID 117481365
4-chloro-3-methoxy-2-methyl-6-(2-piperazin-1-ylethyl)phenol
CID 117458585

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]piperazine (CID 82265920) is 1-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]piperazine is COc1c(CCN2CCNCC2)cc(Cl)cc1C(C)C.
What is the InChIKey of 1-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]piperazine?
The InChIKey is JSSNTYCIDJGIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-12(2)15-11-14(17)10-13(16(15)20-3)4-7-19-8-5-18-6-9-19/h10-12,18H,4-9H2,1-3H3.
What are the key properties of 1-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]piperazine?
1-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]piperazine has a molecular weight of 296.84 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]piperazine is sourced from PubChem (CID 82265920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).