N,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]methanamine

C14H23N3 — CID 82538094

IUPACN,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]methanamine
SMILESCN(C)Cc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C14H23N3/c1-15(2)12-13-4-6-14(7-5-13)17-10-8-16(3)9-11-17/h4-7H,8-12H2,1-3H3
InChIKeyKCFSBCXRBFZRSQ-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.50
Rot. Bonds3

About N,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]methanamine

N,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]methanamine (PubChem CID 82538094) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]methanamine
PubChem CID82538094
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]methanamine
SMILESCN(C)Cc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C14H23N3/c1-15(2)12-13-4-6-14(7-5-13)17-10-8-16(3)9-11-17/h4-7H,8-12H2,1-3H3
InChIKeyKCFSBCXRBFZRSQ-UHFFFAOYSA-N
XLogP1.50
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]methanamine 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

4-[methyl-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]amino]butan-2-one
CID 167537986
4-[4-[(dimethylamino)methyl]phenyl]-1-methylpiperazin-2-one
CID 171624506
1-[4-(bromomethyl)phenyl]-4-methylpiperazine
CID 106548265
butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine
CID 143709843
[4-(4-methylpiperazin-1-yl)phenyl]methylhydrazine
CID 126609483
2-[4-(4-methylpiperazin-1-yl)phenyl]acetic acid
CID 28807075
1-[4-(3-fluoropropyl)phenyl]-4-methylpiperazine
CID 135188571
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]-1-(4-piperazin-1-ylphenyl)methanamine
CID 171500125
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 43280408
1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-ol
CID 154724497
1-methyl-4-[4-(5,5,5-trifluoropentyl)phenyl]piperazine
CID 142952246
4-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]morpholine
CID 170869835

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]methanamine (CID 82538094) is N,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]methanamine is CN(C)Cc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of N,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]methanamine?
The InChIKey is KCFSBCXRBFZRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-15(2)12-13-4-6-14(7-5-13)17-10-8-16(3)9-11-17/h4-7H,8-12H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]methanamine?
N,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]methanamine has a molecular weight of 233.36 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]methanamine is sourced from PubChem (CID 82538094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).