1-benzyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine

C18H28N2O — CID 115699248

IUPAC1-benzyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine
SMILESC=C(C)COCCNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c1-16(2)15-21-13-10-19-18-8-11-20(12-9-18)14-17-6-4-3-5-7-17/h3-7,18-19H,1,8-15H2,2H3
InChIKeyQNEREPQUUFOKPV-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.83
Rot. Bonds8

About 1-benzyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine

1-benzyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine (PubChem CID 115699248) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-benzyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine
PubChem CID115699248
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-benzyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine
SMILESC=C(C)COCCNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c1-16(2)15-21-13-10-19-18-8-11-20(12-9-18)14-17-6-4-3-5-7-17/h3-7,18-19H,1,8-15H2,2H3
InChIKeyQNEREPQUUFOKPV-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-benzyl-N-[2-(2-methylprop-2-enoxy)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-benzyl-N-(4-ethoxybutyl)piperidin-4-amine
CID 167246336
1-benzyl-N-butylpiperidin-4-amine
CID 11253643
1-benzyl-N-(2-methylsulfinylethyl)piperidin-4-amine
CID 115654108
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-(4-methylpentyl)piperidin-4-amine
CID 60744361
N-benzyl-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119124375
1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine
CID 69192482
1-benzyl-N-[2-(2-methoxyphenyl)ethyl]piperidin-4-amine
CID 27267411
3-[2-[(1-benzylpiperidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 103699229
1-(1-benzylpiperidin-4-yl)-3-(2-ethoxyethyl)-2-methylguanidine
CID 110987566
1-(1-benzylpiperidin-4-yl)-2-methyl-3-(2-phenylmethoxyethyl)guanidine
CID 111963989
1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine
CID 103724488

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine (CID 115699248) is 1-benzyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine is C=C(C)COCCNC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine?
The InChIKey is QNEREPQUUFOKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-16(2)15-21-13-10-19-18-8-11-20(12-9-18)14-17-6-4-3-5-7-17/h3-7,18-19H,1,8-15H2,2H3.
What are the key properties of 1-benzyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine?
1-benzyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine has a molecular weight of 288.44 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine is sourced from PubChem (CID 115699248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).