[2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine

C17H23N3O — CID 62424428

IUPAC[2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine
SMILESCc1cccc(N2CCN(Cc3occc3CN)CC2)c1
InChIInChI=1S/C17H23N3O/c1-14-3-2-4-16(11-14)20-8-6-19(7-9-20)13-17-15(12-18)5-10-21-17/h2-5,10-11H,6-9,12-13,18H2,1H3
InChIKeyMPTSVZCIJSOFQY-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.37
Rot. Bonds4

About [2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine

[2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine (PubChem CID 62424428) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine
PubChem CID62424428
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine
SMILESCc1cccc(N2CCN(Cc3occc3CN)CC2)c1
InChIInChI=1S/C17H23N3O/c1-14-3-2-4-16(11-14)20-8-6-19(7-9-20)13-17-15(12-18)5-10-21-17/h2-5,10-11H,6-9,12-13,18H2,1H3
InChIKeyMPTSVZCIJSOFQY-UHFFFAOYSA-N
XLogP2.37
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]methanamine
CID 18070769
[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine
CID 62423499
1-(1,3-benzodioxol-4-ylmethyl)-4-(3-methylphenyl)piperazine
CID 3495000
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-ol
CID 55055417
[2-methyl-5-[(4-phenylpiperazin-1-yl)methyl]furan-3-yl]methanamine
CID 62424178
2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine
CID 24695476
1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-(3-methylphenyl)piperazine
CID 18124656
N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide
CID 24700218
4-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-amine
CID 104681774
1-amino-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ol
CID 64818966
2-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine
CID 81080109

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine?
The IUPAC name of [2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine (CID 62424428) is [2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine.
What is the SMILES notation for [2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine?
The canonical SMILES for [2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine is Cc1cccc(N2CCN(Cc3occc3CN)CC2)c1.
What is the InChIKey of [2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine?
The InChIKey is MPTSVZCIJSOFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-14-3-2-4-16(11-14)20-8-6-19(7-9-20)13-17-15(12-18)5-10-21-17/h2-5,10-11H,6-9,12-13,18H2,1H3.
What are the key properties of [2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine?
[2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine is sourced from PubChem (CID 62424428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).