1-[2-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)ethyl]piperazine

C16H23ClN2O2 — CID 117495669

IUPAC1-[2-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)ethyl]piperazine
SMILESCOc1cc(Cl)cc(CCN2CCNCC2)c1OC1CC1
InChIInChI=1S/C16H23ClN2O2/c1-20-15-11-13(17)10-12(16(15)21-14-2-3-14)4-7-19-8-5-18-6-9-19/h10-11,14,18H,2-9H2,1H3
InChIKeyRHLAPFHXMBAMRZ-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.34
Rot. Bonds6

About 1-[2-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)ethyl]piperazine

1-[2-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)ethyl]piperazine (PubChem CID 117495669) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)ethyl]piperazine
PubChem CID117495669
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name1-[2-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)ethyl]piperazine
SMILESCOc1cc(Cl)cc(CCN2CCNCC2)c1OC1CC1
InChIInChI=1S/C16H23ClN2O2/c1-20-15-11-13(17)10-12(16(15)21-14-2-3-14)4-7-19-8-5-18-6-9-19/h10-11,14,18H,2-9H2,1H3
InChIKeyRHLAPFHXMBAMRZ-UHFFFAOYSA-N
XLogP2.34
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458589
1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine
CID 117495714
1-[2-(5-chloro-3-ethyl-2-methoxyphenyl)ethyl]piperazine
CID 117454705
1-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]piperazine
CID 82265920
1-[2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]ethyl]piperazine
CID 117481365
2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanamine
CID 117430106
1-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]piperazine
CID 82267120
(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)methanesulfonyl chloride
CID 117495921
1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82551173
5-chloro-4-methoxy-2-(2-piperazin-1-ylethyl)phenol
CID 117430083
5-chloro-2-methoxy-4-(2-piperazin-1-ylethyl)phenol
CID 117430088
O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 117397784

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)ethyl]piperazine (CID 117495669) is 1-[2-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)ethyl]piperazine is COc1cc(Cl)cc(CCN2CCNCC2)c1OC1CC1.
What is the InChIKey of 1-[2-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)ethyl]piperazine?
The InChIKey is RHLAPFHXMBAMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-20-15-11-13(17)10-12(16(15)21-14-2-3-14)4-7-19-8-5-18-6-9-19/h10-11,14,18H,2-9H2,1H3.
What are the key properties of 1-[2-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)ethyl]piperazine?
1-[2-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)ethyl]piperazine has a molecular weight of 310.82 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 117495669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).