N-methyl-4-(2-methylpropyl)-N-(piperidin-4-ylmethyl)aniline

C17H28N2 — CID 115209862

IUPACN-methyl-4-(2-methylpropyl)-N-(piperidin-4-ylmethyl)aniline
SMILESCC(C)Cc1ccc(N(C)CC2CCNCC2)cc1
InChIInChI=1S/C17H28N2/c1-14(2)12-15-4-6-17(7-5-15)19(3)13-16-8-10-18-11-9-16/h4-7,14,16,18H,8-13H2,1-3H3
InChIKeyCGXYOOMNAACZPB-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.32
Rot. Bonds5

About N-methyl-4-(2-methylpropyl)-N-(piperidin-4-ylmethyl)aniline

N-methyl-4-(2-methylpropyl)-N-(piperidin-4-ylmethyl)aniline (PubChem CID 115209862) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-methyl-4-(2-methylpropyl)-N-(piperidin-4-ylmethyl)aniline.

Molecular Properties

Compound NameN-methyl-4-(2-methylpropyl)-N-(piperidin-4-ylmethyl)aniline
PubChem CID115209862
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-methyl-4-(2-methylpropyl)-N-(piperidin-4-ylmethyl)aniline
SMILESCC(C)Cc1ccc(N(C)CC2CCNCC2)cc1
InChIInChI=1S/C17H28N2/c1-14(2)12-15-4-6-17(7-5-15)19(3)13-16-8-10-18-11-9-16/h4-7,14,16,18H,8-13H2,1-3H3
InChIKeyCGXYOOMNAACZPB-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-4-(2-methylpropyl)-N-(piperidin-4-ylmethyl)aniline 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-ethyl-N-methyl-N-(piperidin-4-ylmethyl)aniline
CID 62002097
1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine
CID 103815876
N-methyl-N-(piperidin-4-ylmethyl)-3-propan-2-ylaniline
CID 119930941
N-methyl-N-(piperidin-4-ylmethyl)-4-[[4-(trifluoromethoxy)phenyl]methoxy]aniline
CID 141351591
[N-methyl-4-(2-methylpropyl)anilino]methanol
CID 115228791
1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 114832441
N-(cyclopentylmethyl)-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63630568
N,N-dimethyl-4-(piperidin-4-ylmethyl)aniline
CID 15296936
4-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]propyl]phenol
CID 115496134
[4-(2-methylpropyl)phenyl]-piperidin-4-ylmethanol
CID 43146481
2-[N-methyl-4-(2-methylpropyl)anilino]ethanethiol
CID 115223767
3-ethyl-4-methoxy-N-methyl-N-(piperidin-4-ylmethyl)aniline
CID 115209878

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylpropyl)-N-(piperidin-4-ylmethyl)aniline?
The IUPAC name of N-methyl-4-(2-methylpropyl)-N-(piperidin-4-ylmethyl)aniline (CID 115209862) is N-methyl-4-(2-methylpropyl)-N-(piperidin-4-ylmethyl)aniline.
What is the SMILES notation for N-methyl-4-(2-methylpropyl)-N-(piperidin-4-ylmethyl)aniline?
The canonical SMILES for N-methyl-4-(2-methylpropyl)-N-(piperidin-4-ylmethyl)aniline is CC(C)Cc1ccc(N(C)CC2CCNCC2)cc1.
What is the InChIKey of N-methyl-4-(2-methylpropyl)-N-(piperidin-4-ylmethyl)aniline?
The InChIKey is CGXYOOMNAACZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)12-15-4-6-17(7-5-15)19(3)13-16-8-10-18-11-9-16/h4-7,14,16,18H,8-13H2,1-3H3.
What are the key properties of N-methyl-4-(2-methylpropyl)-N-(piperidin-4-ylmethyl)aniline?
N-methyl-4-(2-methylpropyl)-N-(piperidin-4-ylmethyl)aniline has a molecular weight of 260.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylpropyl)-N-(piperidin-4-ylmethyl)aniline is sourced from PubChem (CID 115209862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).