N-[(6-methylpiperidin-2-yl)methyl]-2-propan-2-yloxyaniline

C16H26N2O — CID 54855757

IUPACN-[(6-methylpiperidin-2-yl)methyl]-2-propan-2-yloxyaniline
SMILESCC1CCCC(CNc2ccccc2OC(C)C)N1
InChIInChI=1S/C16H26N2O/c1-12(2)19-16-10-5-4-9-15(16)17-11-14-8-6-7-13(3)18-14/h4-5,9-10,12-14,17-18H,6-8,11H2,1-3H3
InChIKeyCZVAMAZUIRVRHE-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.42
Rot. Bonds5

About N-[(6-methylpiperidin-2-yl)methyl]-2-propan-2-yloxyaniline

N-[(6-methylpiperidin-2-yl)methyl]-2-propan-2-yloxyaniline (PubChem CID 54855757) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(6-methylpiperidin-2-yl)methyl]-2-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-[(6-methylpiperidin-2-yl)methyl]-2-propan-2-yloxyaniline
PubChem CID54855757
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(6-methylpiperidin-2-yl)methyl]-2-propan-2-yloxyaniline
SMILESCC1CCCC(CNc2ccccc2OC(C)C)N1
InChIInChI=1S/C16H26N2O/c1-12(2)19-16-10-5-4-9-15(16)17-11-14-8-6-7-13(3)18-14/h4-5,9-10,12-14,17-18H,6-8,11H2,1-3H3
InChIKeyCZVAMAZUIRVRHE-UHFFFAOYSA-N
XLogP3.42
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(6-methylpiperidin-2-yl)methyl]-2-propan-2-yloxyaniline 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

2-ethoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline
CID 54855753
2-butoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline
CID 54855465
2-(2-ethoxyethoxy)-N-[(6-methylpiperidin-2-yl)methyl]aniline
CID 54855650
1-N-(cyclobutylmethyl)-3-propan-2-yloxybenzene-1,2-diamine
CID 113393307
N-cyclopentyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108942247
N-(1-cyclopropylpropan-2-yl)-2-propan-2-yloxyaniline
CID 115920688
N-(cyclopropylmethyl)-1-(2-propan-2-yloxyphenyl)ethanamine
CID 43735006
2-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-yloxyaniline
CID 106633661
N-(2-propan-2-yloxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890824
2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol
CID 39246107
N-(oxolan-2-ylmethyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 54828739
1-cyclohexyl-1-[(2R)-2-hydroxypropyl]-3-(2-propan-2-yloxyphenyl)urea
CID 97261269

Frequently Asked Questions

What is the IUPAC name of N-[(6-methylpiperidin-2-yl)methyl]-2-propan-2-yloxyaniline?
The IUPAC name of N-[(6-methylpiperidin-2-yl)methyl]-2-propan-2-yloxyaniline (CID 54855757) is N-[(6-methylpiperidin-2-yl)methyl]-2-propan-2-yloxyaniline.
What is the SMILES notation for N-[(6-methylpiperidin-2-yl)methyl]-2-propan-2-yloxyaniline?
The canonical SMILES for N-[(6-methylpiperidin-2-yl)methyl]-2-propan-2-yloxyaniline is CC1CCCC(CNc2ccccc2OC(C)C)N1.
What is the InChIKey of N-[(6-methylpiperidin-2-yl)methyl]-2-propan-2-yloxyaniline?
The InChIKey is CZVAMAZUIRVRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)19-16-10-5-4-9-15(16)17-11-14-8-6-7-13(3)18-14/h4-5,9-10,12-14,17-18H,6-8,11H2,1-3H3.
What are the key properties of N-[(6-methylpiperidin-2-yl)methyl]-2-propan-2-yloxyaniline?
N-[(6-methylpiperidin-2-yl)methyl]-2-propan-2-yloxyaniline has a molecular weight of 262.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylpiperidin-2-yl)methyl]-2-propan-2-yloxyaniline is sourced from PubChem (CID 54855757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).