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

C19H25N3 — CID 18070769

IUPAC[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]methanamine
SMILESCc1cccc(N2CCN(Cc3cccc(CN)c3)CC2)c1
InChIInChI=1S/C19H25N3/c1-16-4-2-7-19(12-16)22-10-8-21(9-11-22)15-18-6-3-5-17(13-18)14-20/h2-7,12-13H,8-11,14-15,20H2,1H3
InChIKeyRFZBSLAJCCXPMI-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.78
Rot. Bonds4

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

[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]methanamine (PubChem CID 18070769) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is [3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]methanamine
PubChem CID18070769
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]methanamine
SMILESCc1cccc(N2CCN(Cc3cccc(CN)c3)CC2)c1
InChIInChI=1S/C19H25N3/c1-16-4-2-7-19(12-16)22-10-8-21(9-11-22)15-18-6-3-5-17(13-18)14-20/h2-7,12-13H,8-11,14-15,20H2,1H3
InChIKeyRFZBSLAJCCXPMI-UHFFFAOYSA-N
XLogP2.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine
CID 62424428
3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]aniline
CID 135126748
[3-(4-propylpiperazin-1-yl)phenyl]methanamine
CID 102813325
[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 60527766
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
2-[4-[[3-(aminomethyl)phenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62886075
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
N-[2-[4-[[4-[3-(aminomethyl)phenyl]piperazin-1-yl]methyl]phenyl]ethyl]acetamide
CID 174378709
4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]aniline
CID 22751185
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 9348757
[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methanamine
CID 61440746
2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine
CID 24695476

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]methanamine?
The IUPAC name of [3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]methanamine (CID 18070769) is [3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]methanamine.
What is the SMILES notation for [3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]methanamine?
The canonical SMILES for [3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]methanamine is Cc1cccc(N2CCN(Cc3cccc(CN)c3)CC2)c1.
What is the InChIKey of [3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]methanamine?
The InChIKey is RFZBSLAJCCXPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-16-4-2-7-19(12-16)22-10-8-21(9-11-22)15-18-6-3-5-17(13-18)14-20/h2-7,12-13H,8-11,14-15,20H2,1H3.
What are the key properties of [3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]methanamine?
[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]methanamine has a molecular weight of 295.43 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]methanamine is sourced from PubChem (CID 18070769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).