N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-4-methylpiperazin-1-amine

C16H27N3O2 — CID 83010256

IUPACN-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-4-methylpiperazin-1-amine
SMILESCOCc1cc(C(C)NN2CCN(C)CC2)ccc1OC
InChIInChI=1S/C16H27N3O2/c1-13(17-19-9-7-18(2)8-10-19)14-5-6-16(21-4)15(11-14)12-20-3/h5-6,11,13,17H,7-10,12H2,1-4H3
InChIKeyWIULUVKCHPCWRF-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.65
Rot. Bonds6

About N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-4-methylpiperazin-1-amine

N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-4-methylpiperazin-1-amine (PubChem CID 83010256) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-4-methylpiperazin-1-amine
PubChem CID83010256
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-4-methylpiperazin-1-amine
SMILESCOCc1cc(C(C)NN2CCN(C)CC2)ccc1OC
InChIInChI=1S/C16H27N3O2/c1-13(17-19-9-7-18(2)8-10-19)14-5-6-16(21-4)15(11-14)12-20-3/h5-6,11,13,17H,7-10,12H2,1-4H3
InChIKeyWIULUVKCHPCWRF-UHFFFAOYSA-N
XLogP1.65
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]pyrrol-1-amine
CID 79091158
1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 60855240
N-[1-(3-methoxyphenyl)ethyl]-4-methylpiperazin-1-amine
CID 83010286
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-2-methylsulfanylpropan-1-amine
CID 115895571
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline
CID 43514886
2-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine
CID 115724331
1-cyclopropyl-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-2-amine
CID 63989729
1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011011
2-methoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine
CID 115728707
4-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]butan-2-ol
CID 64910692
1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine
CID 63727807
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-2-methylbut-3-yn-2-amine
CID 63998709

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-4-methylpiperazin-1-amine?
The IUPAC name of N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-4-methylpiperazin-1-amine (CID 83010256) is N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-4-methylpiperazin-1-amine.
What is the SMILES notation for N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-4-methylpiperazin-1-amine?
The canonical SMILES for N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-4-methylpiperazin-1-amine is COCc1cc(C(C)NN2CCN(C)CC2)ccc1OC.
What is the InChIKey of N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-4-methylpiperazin-1-amine?
The InChIKey is WIULUVKCHPCWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13(17-19-9-7-18(2)8-10-19)14-5-6-16(21-4)15(11-14)12-20-3/h5-6,11,13,17H,7-10,12H2,1-4H3.
What are the key properties of N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-4-methylpiperazin-1-amine?
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-4-methylpiperazin-1-amine has a molecular weight of 293.41 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-4-methylpiperazin-1-amine is sourced from PubChem (CID 83010256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).