[2-methyl-5-[(4-phenylpiperazin-1-yl)methyl]furan-3-yl]methanamine

C17H23N3O — CID 62424178

IUPAC[2-methyl-5-[(4-phenylpiperazin-1-yl)methyl]furan-3-yl]methanamine
SMILESCc1oc(CN2CCN(c3ccccc3)CC2)cc1CN
InChIInChI=1S/C17H23N3O/c1-14-15(12-18)11-17(21-14)13-19-7-9-20(10-8-19)16-5-3-2-4-6-16/h2-6,11H,7-10,12-13,18H2,1H3
InChIKeySANRTDUBUGRALG-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.37
Rot. Bonds4

About [2-methyl-5-[(4-phenylpiperazin-1-yl)methyl]furan-3-yl]methanamine

[2-methyl-5-[(4-phenylpiperazin-1-yl)methyl]furan-3-yl]methanamine (PubChem CID 62424178) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [2-methyl-5-[(4-phenylpiperazin-1-yl)methyl]furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-5-[(4-phenylpiperazin-1-yl)methyl]furan-3-yl]methanamine
PubChem CID62424178
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[2-methyl-5-[(4-phenylpiperazin-1-yl)methyl]furan-3-yl]methanamine
SMILESCc1oc(CN2CCN(c3ccccc3)CC2)cc1CN
InChIInChI=1S/C17H23N3O/c1-14-15(12-18)11-17(21-14)13-19-7-9-20(10-8-19)16-5-3-2-4-6-16/h2-6,11H,7-10,12-13,18H2,1H3
InChIKeySANRTDUBUGRALG-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

[2-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine
CID 62428192
1-[[5-(3,4-dimethylphenyl)furan-2-yl]methyl]-4-phenylpiperazine
CID 22762516
[5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine
CID 103539992
4-methyl-3-[(4-phenylpiperazin-1-yl)methyl]aniline
CID 75532069
N-methyl-1-[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 62424365
[2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine
CID 62424428
5-methyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 22762631
4-methyl-2-[(4-phenylpiperazin-1-yl)methyl]phenol
CID 818475
3-hydroxy-2-(morpholin-4-ylmethyl)-6-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one
CID 91640157
[5-methyl-4-(thiomorpholin-4-ylmethyl)furan-2-yl]methanamine
CID 62419449
7,8-dimethyl-4-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one
CID 2044963
[3-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752482

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-[(4-phenylpiperazin-1-yl)methyl]furan-3-yl]methanamine?
The IUPAC name of [2-methyl-5-[(4-phenylpiperazin-1-yl)methyl]furan-3-yl]methanamine (CID 62424178) is [2-methyl-5-[(4-phenylpiperazin-1-yl)methyl]furan-3-yl]methanamine.
What is the SMILES notation for [2-methyl-5-[(4-phenylpiperazin-1-yl)methyl]furan-3-yl]methanamine?
The canonical SMILES for [2-methyl-5-[(4-phenylpiperazin-1-yl)methyl]furan-3-yl]methanamine is Cc1oc(CN2CCN(c3ccccc3)CC2)cc1CN.
What is the InChIKey of [2-methyl-5-[(4-phenylpiperazin-1-yl)methyl]furan-3-yl]methanamine?
The InChIKey is SANRTDUBUGRALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-14-15(12-18)11-17(21-14)13-19-7-9-20(10-8-19)16-5-3-2-4-6-16/h2-6,11H,7-10,12-13,18H2,1H3.
What are the key properties of [2-methyl-5-[(4-phenylpiperazin-1-yl)methyl]furan-3-yl]methanamine?
[2-methyl-5-[(4-phenylpiperazin-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-methyl-5-[(4-phenylpiperazin-1-yl)methyl]furan-3-yl]methanamine is sourced from PubChem (CID 62424178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).