3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpiperidin-4-amine

C17H28N4O — CID 82171487

IUPAC3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpiperidin-4-amine
SMILESCOc1ccccc1N1CCN(C2CN(C)CCC2N)CC1
InChIInChI=1S/C17H28N4O/c1-19-8-7-14(18)16(13-19)21-11-9-20(10-12-21)15-5-3-4-6-17(15)22-2/h3-6,14,16H,7-13,18H2,1-2H3
InChIKeyPHBKKHUZQIJRJL-UHFFFAOYSA-N
MW304.44 g/mol
LogP0.85
Rot. Bonds3

About 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpiperidin-4-amine

3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpiperidin-4-amine (PubChem CID 82171487) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpiperidin-4-amine
PubChem CID82171487
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpiperidin-4-amine
SMILESCOc1ccccc1N1CCN(C2CN(C)CCC2N)CC1
InChIInChI=1S/C17H28N4O/c1-19-8-7-14(18)16(13-19)21-11-9-20(10-12-21)15-5-3-4-6-17(15)22-2/h3-6,14,16H,7-13,18H2,1-2H3
InChIKeyPHBKKHUZQIJRJL-UHFFFAOYSA-N
XLogP0.85
TPSA44.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylcyclohexan-1-amine
CID 82171456
1-methyl-3-(4-phenylpiperazin-1-yl)piperidin-4-amine
CID 82171483
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-amine
CID 10708578
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477
1-(2-methoxyphenyl)-4-[(1R,2R)-2-methylcyclohexyl]piperazine
CID 124636506
1-(2-methoxyphenyl)-4-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]piperazine
CID 28786689
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
CID 68812752
1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine
CID 782078
1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 92709243
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-one
CID 10565307
2-cyclopentyl-1-[(3S,4S)-3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidin-1-yl]ethanone
CID 56867819

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpiperidin-4-amine?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpiperidin-4-amine (CID 82171487) is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpiperidin-4-amine.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpiperidin-4-amine?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpiperidin-4-amine is COc1ccccc1N1CCN(C2CN(C)CCC2N)CC1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpiperidin-4-amine?
The InChIKey is PHBKKHUZQIJRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-19-8-7-14(18)16(13-19)21-11-9-20(10-12-21)15-5-3-4-6-17(15)22-2/h3-6,14,16H,7-13,18H2,1-2H3.
What are the key properties of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpiperidin-4-amine?
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpiperidin-4-amine has a molecular weight of 304.44 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 82171487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).