1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine

C16H23ClN2O2 — CID 117495714

IUPAC1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine
SMILESCOc1cc(Cl)cc(CN2CCNCC2)c1OC1CCC1
InChIInChI=1S/C16H23ClN2O2/c1-20-15-10-13(17)9-12(11-19-7-5-18-6-8-19)16(15)21-14-3-2-4-14/h9-10,14,18H,2-8,11H2,1H3
InChIKeyMIIWPHFRSIZCAW-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.69
Rot. Bonds5

About 1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine

1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine (PubChem CID 117495714) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine
PubChem CID117495714
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine
SMILESCOc1cc(Cl)cc(CN2CCNCC2)c1OC1CCC1
InChIInChI=1S/C16H23ClN2O2/c1-20-15-10-13(17)9-12(11-19-7-5-18-6-8-19)16(15)21-14-3-2-4-14/h9-10,14,18H,2-8,11H2,1H3
InChIKeyMIIWPHFRSIZCAW-UHFFFAOYSA-N
XLogP2.69
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)ethyl]piperazine
CID 117495669
1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 3437314
1-[(5-chloro-3-ethyl-2-methoxyphenyl)methyl]piperazine
CID 117425714
O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 117397784
1-[2-(5-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458589
1-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)-N-methoxymethanamine
CID 117432330
1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine
CID 117457867
1-[(5-ethyl-2,3-dimethoxyphenyl)methyl]piperazine
CID 117415820
5-chloro-2-cyclobutyloxy-3-methoxyphenol
CID 84692205
2-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)piperidine
CID 117494554
4-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)butanoic acid
CID 117481287
(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)methanesulfonyl chloride
CID 117495921

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine (CID 117495714) is 1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine is COc1cc(Cl)cc(CN2CCNCC2)c1OC1CCC1.
What is the InChIKey of 1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine?
The InChIKey is MIIWPHFRSIZCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-20-15-10-13(17)9-12(11-19-7-5-18-6-8-19)16(15)21-14-3-2-4-14/h9-10,14,18H,2-8,11H2,1H3.
What are the key properties of 1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine?
1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine has a molecular weight of 310.82 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 117495714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).