3-[4-[(3-methoxy-2-propoxyphenyl)methyl]piperazin-1-yl]propan-1-amine

C18H31N3O2 — CID 54856112

IUPAC3-[4-[(3-methoxy-2-propoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
SMILESCCCOc1c(CN2CCN(CCCN)CC2)cccc1OC
InChIInChI=1S/C18H31N3O2/c1-3-14-23-18-16(6-4-7-17(18)22-2)15-21-12-10-20(11-13-21)9-5-8-19/h4,6-7H,3,5,8-15,19H2,1-2H3
InChIKeyBYSCEZVIHUPUDI-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.95
Rot. Bonds9

About 3-[4-[(3-methoxy-2-propoxyphenyl)methyl]piperazin-1-yl]propan-1-amine

3-[4-[(3-methoxy-2-propoxyphenyl)methyl]piperazin-1-yl]propan-1-amine (PubChem CID 54856112) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 3-[4-[(3-methoxy-2-propoxyphenyl)methyl]piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-[(3-methoxy-2-propoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
PubChem CID54856112
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name3-[4-[(3-methoxy-2-propoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
SMILESCCCOc1c(CN2CCN(CCCN)CC2)cccc1OC
InChIInChI=1S/C18H31N3O2/c1-3-14-23-18-16(6-4-7-17(18)22-2)15-21-12-10-20(11-13-21)9-5-8-19/h4,6-7H,3,5,8-15,19H2,1-2H3
InChIKeyBYSCEZVIHUPUDI-UHFFFAOYSA-N
XLogP1.95
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]propan-1-amine
CID 54855920
3-[4-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]piperazin-1-yl]propan-1-amine
CID 54855901
3-[4-[(2-decoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 54856258
4-[4-[(2-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]butan-1-amine
CID 104791362
1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine
CID 91276351
3-[4-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methyl]piperazin-1-yl]propanenitrile
CID 54856274
2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 22680917
2-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol
CID 2223715
3-[4-[[3-methoxy-2-(2-phenylethoxy)phenyl]methyl]piperazin-1-yl]propanenitrile
CID 54856251
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832
1-[(4-methoxynaphthalen-1-yl)methyl]-4-propylpiperazine
CID 143922836
1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
CID 770198

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-methoxy-2-propoxyphenyl)methyl]piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-[(3-methoxy-2-propoxyphenyl)methyl]piperazin-1-yl]propan-1-amine (CID 54856112) is 3-[4-[(3-methoxy-2-propoxyphenyl)methyl]piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-[(3-methoxy-2-propoxyphenyl)methyl]piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-[(3-methoxy-2-propoxyphenyl)methyl]piperazin-1-yl]propan-1-amine is CCCOc1c(CN2CCN(CCCN)CC2)cccc1OC.
What is the InChIKey of 3-[4-[(3-methoxy-2-propoxyphenyl)methyl]piperazin-1-yl]propan-1-amine?
The InChIKey is BYSCEZVIHUPUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-3-14-23-18-16(6-4-7-17(18)22-2)15-21-12-10-20(11-13-21)9-5-8-19/h4,6-7H,3,5,8-15,19H2,1-2H3.
What are the key properties of 3-[4-[(3-methoxy-2-propoxyphenyl)methyl]piperazin-1-yl]propan-1-amine?
3-[4-[(3-methoxy-2-propoxyphenyl)methyl]piperazin-1-yl]propan-1-amine has a molecular weight of 321.47 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-methoxy-2-propoxyphenyl)methyl]piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 54856112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).