1-(5,5-dimethylpyrrolidin-3-yl)-4-(3-methoxyphenyl)piperazine

C17H27N3O — CID 82014446

IUPAC1-(5,5-dimethylpyrrolidin-3-yl)-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(C3CNC(C)(C)C3)CC2)c1
InChIInChI=1S/C17H27N3O/c1-17(2)12-15(13-18-17)20-9-7-19(8-10-20)14-5-4-6-16(11-14)21-3/h4-6,11,15,18H,7-10,12-13H2,1-3H3
InChIKeyDIGZECWLKMBVIZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.96
Rot. Bonds3

About 1-(5,5-dimethylpyrrolidin-3-yl)-4-(3-methoxyphenyl)piperazine

1-(5,5-dimethylpyrrolidin-3-yl)-4-(3-methoxyphenyl)piperazine (PubChem CID 82014446) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(5,5-dimethylpyrrolidin-3-yl)-4-(3-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(5,5-dimethylpyrrolidin-3-yl)-4-(3-methoxyphenyl)piperazine
PubChem CID82014446
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-(5,5-dimethylpyrrolidin-3-yl)-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(C3CNC(C)(C)C3)CC2)c1
InChIInChI=1S/C17H27N3O/c1-17(2)12-15(13-18-17)20-9-7-19(8-10-20)14-5-4-6-16(11-14)21-3/h4-6,11,15,18H,7-10,12-13H2,1-3H3
InChIKeyDIGZECWLKMBVIZ-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

Analyze 1-(5,5-dimethylpyrrolidin-3-yl)-4-(3-methoxyphenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxyphenyl)-4-(6-methylpiperidin-3-yl)piperazine
CID 63158157
1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine
CID 123493648
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
1-(3-methoxyphenyl)azepane
CID 57276431
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
4,4-difluoro-1-(3-methoxyphenyl)piperidine
CID 117007784
4-(3-methoxyphenyl)piperazine-1-carbaldehyde
CID 22945750
1-(3-methoxyphenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
CID 120897429
3-(3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane
CID 82484817
2-[4-(3-methoxyphenyl)piperazin-1-yl]cyclopentane-1-carbonitrile
CID 43291800
1-(3-methoxyphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine
CID 63715014
3,3-diethyl-1-(3-methoxyphenyl)piperazine
CID 64926809

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethylpyrrolidin-3-yl)-4-(3-methoxyphenyl)piperazine?
The IUPAC name of 1-(5,5-dimethylpyrrolidin-3-yl)-4-(3-methoxyphenyl)piperazine (CID 82014446) is 1-(5,5-dimethylpyrrolidin-3-yl)-4-(3-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(5,5-dimethylpyrrolidin-3-yl)-4-(3-methoxyphenyl)piperazine?
The canonical SMILES for 1-(5,5-dimethylpyrrolidin-3-yl)-4-(3-methoxyphenyl)piperazine is COc1cccc(N2CCN(C3CNC(C)(C)C3)CC2)c1.
What is the InChIKey of 1-(5,5-dimethylpyrrolidin-3-yl)-4-(3-methoxyphenyl)piperazine?
The InChIKey is DIGZECWLKMBVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(2)12-15(13-18-17)20-9-7-19(8-10-20)14-5-4-6-16(11-14)21-3/h4-6,11,15,18H,7-10,12-13H2,1-3H3.
What are the key properties of 1-(5,5-dimethylpyrrolidin-3-yl)-4-(3-methoxyphenyl)piperazine?
1-(5,5-dimethylpyrrolidin-3-yl)-4-(3-methoxyphenyl)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-(5,5-dimethylpyrrolidin-3-yl)-4-(3-methoxyphenyl)piperazine is sourced from PubChem (CID 82014446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).