1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine

C17H27N3O — CID 123493648

IUPAC1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine
SMILESCOc1cccc(N2CCC(N3CCN(C)CC3)CC2)c1
InChIInChI=1S/C17H27N3O/c1-18-10-12-20(13-11-18)15-6-8-19(9-7-15)16-4-3-5-17(14-16)21-2/h3-5,14-15H,6-13H2,1-2H3
InChIKeyUFCWOKBMPUMPSL-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.91
Rot. Bonds3

About 1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine

1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine (PubChem CID 123493648) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine
PubChem CID123493648
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine
SMILESCOc1cccc(N2CCC(N3CCN(C)CC3)CC2)c1
InChIInChI=1S/C17H27N3O/c1-18-10-12-20(13-11-18)15-6-8-19(9-7-15)16-4-3-5-17(14-16)21-2/h3-5,14-15H,6-13H2,1-2H3
InChIKeyUFCWOKBMPUMPSL-UHFFFAOYSA-N
XLogP1.91
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline
CID 66656690
1,3-dimethoxybenzene;ethane;1-methyl-4-phenylpiperazine
CID 171522133
1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 171069764
1-(3-methoxyphenyl)-4-(6-methylpiperidin-3-yl)piperazine
CID 63158157
1-(5,5-dimethylpyrrolidin-3-yl)-4-(3-methoxyphenyl)piperazine
CID 82014446
2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline;molecular hydrogen
CID 144787336
(1S,5R)-7-[1-(3-methoxyphenyl)piperidin-4-yl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
CID 166620621
1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 784417
1-(3-methoxyphenyl)azepane
CID 57276431
(4R,5S)-4-methoxy-7-[1-(3-methoxyphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane
CID 135108773
(2R)-4-[1-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]-1,2-dimethylpiperazine
CID 95047414
2-[4-[1-(3-methoxyphenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45206216

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine?
The IUPAC name of 1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine (CID 123493648) is 1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine?
The canonical SMILES for 1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine is COc1cccc(N2CCC(N3CCN(C)CC3)CC2)c1.
What is the InChIKey of 1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine?
The InChIKey is UFCWOKBMPUMPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-18-10-12-20(13-11-18)15-6-8-19(9-7-15)16-4-3-5-17(14-16)21-2/h3-5,14-15H,6-13H2,1-2H3.
What are the key properties of 1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine?
1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine has a molecular weight of 289.42 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine is sourced from PubChem (CID 123493648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).