1-(3-methoxyphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine

C17H27N3O — CID 63715014

IUPAC1-(3-methoxyphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine
SMILESCOc1cccc(N2CCN(CC3CNCC3C)CC2)c1
InChIInChI=1S/C17H27N3O/c1-14-11-18-12-15(14)13-19-6-8-20(9-7-19)16-4-3-5-17(10-16)21-2/h3-5,10,14-15,18H,6-9,11-13H2,1-2H3
InChIKeyQPQGQZGNTJEANH-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.67
Rot. Bonds4

About 1-(3-methoxyphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine

1-(3-methoxyphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine (PubChem CID 63715014) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine
PubChem CID63715014
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-(3-methoxyphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine
SMILESCOc1cccc(N2CCN(CC3CNCC3C)CC2)c1
InChIInChI=1S/C17H27N3O/c1-14-11-18-12-15(14)13-19-6-8-20(9-7-19)16-4-3-5-17(10-16)21-2/h3-5,10,14-15,18H,6-9,11-13H2,1-2H3
InChIKeyQPQGQZGNTJEANH-UHFFFAOYSA-N
XLogP1.67
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine
CID 10243741
1-(4-fluorophenyl)-4-[[(4R)-4-methylpyrrolidin-3-yl]methyl]-1,4-diazepane
CID 142524325
1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 171069764
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641
[4-(3-methoxyphenyl)piperazin-1-yl]methanesulfinate
CID 174627257
1-(3-methoxyphenyl)azepane
CID 57276431
1-(6-chlorohexyl)-4-(3-methoxyphenyl)piperazine
CID 62229677
3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62271087

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine?
The IUPAC name of 1-(3-methoxyphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine (CID 63715014) is 1-(3-methoxyphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine?
The canonical SMILES for 1-(3-methoxyphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine is COc1cccc(N2CCN(CC3CNCC3C)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine?
The InChIKey is QPQGQZGNTJEANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-11-18-12-15(14)13-19-6-8-20(9-7-19)16-4-3-5-17(10-16)21-2/h3-5,10,14-15,18H,6-9,11-13H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine?
1-(3-methoxyphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine has a molecular weight of 289.42 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine is sourced from PubChem (CID 63715014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).