[1-methyl-3-[4-(3-methylphenyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine

C17H28N4 — CID 62975821

IUPAC[1-methyl-3-[4-(3-methylphenyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine
SMILESCc1cccc(N2CCN(C3(CN)CCN(C)C3)CC2)c1
InChIInChI=1S/C17H28N4/c1-15-4-3-5-16(12-15)20-8-10-21(11-9-20)17(13-18)6-7-19(2)14-17/h3-5,12H,6-11,13-14,18H2,1-2H3
InChIKeyUCHALZXDOSOLNA-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.15
Rot. Bonds3

About [1-methyl-3-[4-(3-methylphenyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine

[1-methyl-3-[4-(3-methylphenyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine (PubChem CID 62975821) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is [1-methyl-3-[4-(3-methylphenyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-3-[4-(3-methylphenyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine
PubChem CID62975821
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name[1-methyl-3-[4-(3-methylphenyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine
SMILESCc1cccc(N2CCN(C3(CN)CCN(C)C3)CC2)c1
InChIInChI=1S/C17H28N4/c1-15-4-3-5-16(12-15)20-8-10-21(11-9-20)17(13-18)6-7-19(2)14-17/h3-5,12H,6-11,13-14,18H2,1-2H3
InChIKeyUCHALZXDOSOLNA-UHFFFAOYSA-N
XLogP1.15
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidin-3-yl]methanamine
CID 62975450
4-(aminomethyl)-1-(3-methylphenyl)piperidin-4-ol
CID 82286378
[4-(fluoromethyl)-1-(3-methylphenyl)piperidin-4-yl]methanamine
CID 115041666
[3-(1,3-dihydroisoindol-2-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 55142370
N'-methyl-4-(3-methylphenyl)-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperazine-1-carboximidamide
CID 111497997
1-methyl-4-(3-methylphenyl)-1,4-diazepane
CID 118420862
1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine
CID 79844062
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine
CID 24695476
[1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine
CID 64500520
[1-methyl-3-(4-propan-2-ylpiperazin-1-yl)pyrrolidin-3-yl]methanamine
CID 62977681
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-[4-(3-methylphenyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-methyl-3-[4-(3-methylphenyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine (CID 62975821) is [1-methyl-3-[4-(3-methylphenyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-methyl-3-[4-(3-methylphenyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-methyl-3-[4-(3-methylphenyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine is Cc1cccc(N2CCN(C3(CN)CCN(C)C3)CC2)c1.
What is the InChIKey of [1-methyl-3-[4-(3-methylphenyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine?
The InChIKey is UCHALZXDOSOLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-15-4-3-5-16(12-15)20-8-10-21(11-9-20)17(13-18)6-7-19(2)14-17/h3-5,12H,6-11,13-14,18H2,1-2H3.
What are the key properties of [1-methyl-3-[4-(3-methylphenyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine?
[1-methyl-3-[4-(3-methylphenyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine has a molecular weight of 288.44 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-[4-(3-methylphenyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62975821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).