2,6-dimethyl-N-[[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenyl]methyl]piperidin-1-amine

C23H41N5 — CID 24900055

IUPAC2,6-dimethyl-N-[[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenyl]methyl]piperidin-1-amine
SMILESCC1CCCC(C)N1NCc1ccc(CNCCCN2CCN(C)CC2)cc1
InChIInChI=1S/C23H41N5/c1-20-6-4-7-21(2)28(20)25-19-23-10-8-22(9-11-23)18-24-12-5-13-27-16-14-26(3)15-17-27/h8-11,20-21,24-25H,4-7,12-19H2,1-3H3
InChIKeyCUDINRCNVCRPBY-UHFFFAOYSA-N
MW387.62 g/mol
LogP2.68
Rot. Bonds9

About 2,6-dimethyl-N-[[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenyl]methyl]piperidin-1-amine

2,6-dimethyl-N-[[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenyl]methyl]piperidin-1-amine (PubChem CID 24900055) has the molecular formula C23H41N5 and a molecular weight of 387.62 g/mol. Its IUPAC name is 2,6-dimethyl-N-[[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenyl]methyl]piperidin-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenyl]methyl]piperidin-1-amine
PubChem CID24900055
Molecular FormulaC23H41N5
Molecular Weight387.62 g/mol
Exact Mass387.34
IUPAC Name2,6-dimethyl-N-[[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenyl]methyl]piperidin-1-amine
SMILESCC1CCCC(C)N1NCc1ccc(CNCCCN2CCN(C)CC2)cc1
InChIInChI=1S/C23H41N5/c1-20-6-4-7-21(2)28(20)25-19-23-10-8-22(9-11-23)18-24-12-5-13-27-16-14-26(3)15-17-27/h8-11,20-21,24-25H,4-7,12-19H2,1-3H3
InChIKeyCUDINRCNVCRPBY-UHFFFAOYSA-N
XLogP2.68
TPSA33.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.62
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,6-dimethyl-N-[[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenyl]methyl]piperidin-1-amine 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

Isobutyl-(4-methyl-benzyl)-piperidin-4-yl-amine
CID 44411213
1-[[4-(4-Piperidin-1-ylbut-1-ynyl)phenyl]methyl]-4-propan-2-ylpiperazine
CID 22493471
1-phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]methanamine
CID 483570
1-(4-Methylbenzyl)piperazine
CID 764723
Tyrosinase Inhibitor, 4
CID 23727896
Diethyl-[4-(phenyl-piperazin-1-yl-methyl)-benzyl]-amine
CID 10735696
1,4-Bis-(N-[3-(2-methylpiperidin-1-yl)propyl]aminomethyl) benzine
CID 24899044
3-(2-methyl-1-piperidyl)-N-[2-[4-[2-[3-(2-methyl-1-piperidyl)propylamino]ethyl]phenyl]ethyl]propan-1-amine
CID 46873807
N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
CID 72024126
1-(4-Methylbenzyl)-1,4,8,11-tetraazacyclotetradecane
CID 460344
1-Benzyl-3-methylpiperazine
CID 2727520
1-Benzyl-2-methylpiperazine
CID 10442525

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenyl]methyl]piperidin-1-amine?
The IUPAC name of 2,6-dimethyl-N-[[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenyl]methyl]piperidin-1-amine (CID 24900055) is 2,6-dimethyl-N-[[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenyl]methyl]piperidin-1-amine.
What is the SMILES notation for 2,6-dimethyl-N-[[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenyl]methyl]piperidin-1-amine?
The canonical SMILES for 2,6-dimethyl-N-[[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenyl]methyl]piperidin-1-amine is CC1CCCC(C)N1NCc1ccc(CNCCCN2CCN(C)CC2)cc1.
What is the InChIKey of 2,6-dimethyl-N-[[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenyl]methyl]piperidin-1-amine?
The InChIKey is CUDINRCNVCRPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N5/c1-20-6-4-7-21(2)28(20)25-19-23-10-8-22(9-11-23)18-24-12-5-13-27-16-14-26(3)15-17-27/h8-11,20-21,24-25H,4-7,12-19H2,1-3H3.
What are the key properties of 2,6-dimethyl-N-[[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenyl]methyl]piperidin-1-amine?
2,6-dimethyl-N-[[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenyl]methyl]piperidin-1-amine has a molecular weight of 387.62 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenyl]methyl]piperidin-1-amine is sourced from PubChem (CID 24900055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).