1-(3-methoxyphenyl)-4-(6-methylpiperidin-3-yl)piperazine

C17H27N3O — CID 63158157

IUPAC1-(3-methoxyphenyl)-4-(6-methylpiperidin-3-yl)piperazine
SMILESCOc1cccc(N2CCN(C3CCC(C)NC3)CC2)c1
InChIInChI=1S/C17H27N3O/c1-14-6-7-16(13-18-14)20-10-8-19(9-11-20)15-4-3-5-17(12-15)21-2/h3-5,12,14,16,18H,6-11,13H2,1-2H3
InChIKeyAVLWXJQAUWXPTD-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.96
Rot. Bonds3

About 1-(3-methoxyphenyl)-4-(6-methylpiperidin-3-yl)piperazine

1-(3-methoxyphenyl)-4-(6-methylpiperidin-3-yl)piperazine (PubChem CID 63158157) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-(6-methylpiperidin-3-yl)piperazine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-(6-methylpiperidin-3-yl)piperazine
PubChem CID63158157
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-(3-methoxyphenyl)-4-(6-methylpiperidin-3-yl)piperazine
SMILESCOc1cccc(N2CCN(C3CCC(C)NC3)CC2)c1
InChIInChI=1S/C17H27N3O/c1-14-6-7-16(13-18-14)20-10-8-19(9-11-20)15-4-3-5-17(12-15)21-2/h3-5,12,14,16,18H,6-11,13H2,1-2H3
InChIKeyAVLWXJQAUWXPTD-UHFFFAOYSA-N
XLogP1.96
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5,5-dimethylpyrrolidin-3-yl)-4-(3-methoxyphenyl)piperazine
CID 82014446
1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine
CID 123493648
2-[4-(3-methoxyphenyl)piperazin-1-yl]cyclopentane-1-carbonitrile
CID 43291800
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
1-(3-methoxyphenyl)azepane
CID 57276431
(2S,5R)-1-(3-methoxyphenyl)-2,5-dimethylpiperazine
CID 95443891
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
1-(3-methoxyphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine
CID 63715014
4,4-difluoro-1-(3-methoxyphenyl)piperidine
CID 117007784
2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(4-methylphenyl)-1,3-diazinan-4-one
CID 73369312
4-(3-methoxyphenyl)piperazine-1-carbaldehyde
CID 22945750
3-(3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane
CID 82484817

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-(6-methylpiperidin-3-yl)piperazine?
The IUPAC name of 1-(3-methoxyphenyl)-4-(6-methylpiperidin-3-yl)piperazine (CID 63158157) is 1-(3-methoxyphenyl)-4-(6-methylpiperidin-3-yl)piperazine.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-(6-methylpiperidin-3-yl)piperazine?
The canonical SMILES for 1-(3-methoxyphenyl)-4-(6-methylpiperidin-3-yl)piperazine is COc1cccc(N2CCN(C3CCC(C)NC3)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-(6-methylpiperidin-3-yl)piperazine?
The InChIKey is AVLWXJQAUWXPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-6-7-16(13-18-14)20-10-8-19(9-11-20)15-4-3-5-17(12-15)21-2/h3-5,12,14,16,18H,6-11,13H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-4-(6-methylpiperidin-3-yl)piperazine?
1-(3-methoxyphenyl)-4-(6-methylpiperidin-3-yl)piperazine has a molecular weight of 289.42 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-(6-methylpiperidin-3-yl)piperazine is sourced from PubChem (CID 63158157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).