1-methyl-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperidin-4-amine

C18H30N2O — CID 86793716

IUPAC1-methyl-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperidin-4-amine
SMILESCC(NC1CCN(C)CC1)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-14(19-16-10-12-20(5)13-11-16)15-6-8-17(9-7-15)21-18(2,3)4/h6-9,14,16,19H,10-13H2,1-5H3
InChIKeyVXUMTZZIXVSAGS-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.61
Rot. Bonds4

About 1-methyl-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperidin-4-amine

1-methyl-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperidin-4-amine (PubChem CID 86793716) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-methyl-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperidin-4-amine
PubChem CID86793716
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-methyl-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperidin-4-amine
SMILESCC(NC1CCN(C)CC1)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-14(19-16-10-12-20(5)13-11-16)15-6-8-17(9-7-15)21-18(2,3)4/h6-9,14,16,19H,10-13H2,1-5H3
InChIKeyVXUMTZZIXVSAGS-UHFFFAOYSA-N
XLogP3.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperidin-4-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

1-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 81349628
N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43181057
N-[1-(4-ethoxyphenyl)ethyl]-1-methylazepan-4-amine
CID 65070030
N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949814
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]cyclopentanamine
CID 43190434
1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine
CID 81350289
1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 61461431
1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidin-4-amine
CID 103905191
N-[1-(4-butylphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43373316
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 81352092
2-methoxy-4-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenol
CID 43373375
N,N-dimethyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 119145608

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperidin-4-amine?
The IUPAC name of 1-methyl-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperidin-4-amine (CID 86793716) is 1-methyl-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperidin-4-amine?
The canonical SMILES for 1-methyl-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperidin-4-amine is CC(NC1CCN(C)CC1)c1ccc(OC(C)(C)C)cc1.
What is the InChIKey of 1-methyl-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperidin-4-amine?
The InChIKey is VXUMTZZIXVSAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(19-16-10-12-20(5)13-11-16)15-6-8-17(9-7-15)21-18(2,3)4/h6-9,14,16,19H,10-13H2,1-5H3.
What are the key properties of 1-methyl-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperidin-4-amine?
1-methyl-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperidin-4-amine has a molecular weight of 290.45 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperidin-4-amine is sourced from PubChem (CID 86793716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).