1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine

C15H24N2O2 — CID 39364163

IUPAC1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine
SMILESCCCOc1cc(CN2CCNCC2)ccc1OC
InChIInChI=1S/C15H24N2O2/c1-3-10-19-15-11-13(4-5-14(15)18-2)12-17-8-6-16-7-9-17/h4-5,11,16H,3,6-10,12H2,1-2H3
InChIKeyPLMHYTNACQUFHY-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.89
Rot. Bonds6

About 1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine

1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine (PubChem CID 39364163) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine
PubChem CID39364163
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine
SMILESCCCOc1cc(CN2CCNCC2)ccc1OC
InChIInChI=1S/C15H24N2O2/c1-3-10-19-15-11-13(4-5-14(15)18-2)12-17-8-6-16-7-9-17/h4-5,11,16H,3,6-10,12H2,1-2H3
InChIKeyPLMHYTNACQUFHY-UHFFFAOYSA-N
XLogP1.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine
CID 82160590
1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperazine
CID 117384517
1-[(4-methoxy-3-methylphenyl)methyl]-1,4-diazepane
CID 55039426
2-ethoxy-4-(piperazin-1-ylmethyl)phenol
CID 54914762
1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine
CID 174368866
(3R)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 96937270
[2-ethoxy-4-(piperazin-1-ylmethyl)phenyl]methanamine
CID 84754915
2-[[1-[(4-methoxy-3-propoxyphenyl)methyl]azepan-4-yl]-methylamino]acetic acid
CID 122043450
1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine
CID 117379704
1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine
CID 15079025
1-[(3,4-dicyclopropyloxyphenyl)methyl]piperazine
CID 166799801
2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
CID 120906848

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine (CID 39364163) is 1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine is CCCOc1cc(CN2CCNCC2)ccc1OC.
What is the InChIKey of 1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine?
The InChIKey is PLMHYTNACQUFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-10-19-15-11-13(4-5-14(15)18-2)12-17-8-6-16-7-9-17/h4-5,11,16H,3,6-10,12H2,1-2H3.
What are the key properties of 1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine?
1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine has a molecular weight of 264.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine is sourced from PubChem (CID 39364163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).