N-[1-(3-methoxyphenyl)ethyl]-4-methylpiperazin-1-amine

C14H23N3O — CID 83010286

IUPACN-[1-(3-methoxyphenyl)ethyl]-4-methylpiperazin-1-amine
SMILESCOc1cccc(C(C)NN2CCN(C)CC2)c1
InChIInChI=1S/C14H23N3O/c1-12(13-5-4-6-14(11-13)18-3)15-17-9-7-16(2)8-10-17/h4-6,11-12,15H,7-10H2,1-3H3
InChIKeyYWOPCMWZGFQSPE-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.51
Rot. Bonds4

About N-[1-(3-methoxyphenyl)ethyl]-4-methylpiperazin-1-amine

N-[1-(3-methoxyphenyl)ethyl]-4-methylpiperazin-1-amine (PubChem CID 83010286) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]-4-methylpiperazin-1-amine
PubChem CID83010286
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]-4-methylpiperazin-1-amine
SMILESCOc1cccc(C(C)NN2CCN(C)CC2)c1
InChIInChI=1S/C14H23N3O/c1-12(13-5-4-6-14(11-13)18-3)15-17-9-7-16(2)8-10-17/h4-6,11-12,15H,7-10H2,1-3H3
InChIKeyYWOPCMWZGFQSPE-UHFFFAOYSA-N
XLogP1.51
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol
CID 82314270
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81354994
N-[1-[3-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine
CID 83007352
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-4-methylpiperazin-1-amine
CID 83010256
N-[1-(4-ethoxyphenyl)ethyl]-4-methylpiperazin-1-amine
CID 83009089
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657976
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
1-(3-methoxyphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 103729491
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one
CID 81373632
(1R)-1-(3-methoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 25264906
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
N-ethynyl-1-(3-methoxyphenyl)ethanamine
CID 145298325

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-4-methylpiperazin-1-amine?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-4-methylpiperazin-1-amine (CID 83010286) is N-[1-(3-methoxyphenyl)ethyl]-4-methylpiperazin-1-amine.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]-4-methylpiperazin-1-amine?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]-4-methylpiperazin-1-amine is COc1cccc(C(C)NN2CCN(C)CC2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]-4-methylpiperazin-1-amine?
The InChIKey is YWOPCMWZGFQSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12(13-5-4-6-14(11-13)18-3)15-17-9-7-16(2)8-10-17/h4-6,11-12,15H,7-10H2,1-3H3.
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]-4-methylpiperazin-1-amine?
N-[1-(3-methoxyphenyl)ethyl]-4-methylpiperazin-1-amine has a molecular weight of 249.36 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]-4-methylpiperazin-1-amine is sourced from PubChem (CID 83010286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).