1-[4-(ethylaminomethyl)phenyl]-4-methylpiperidin-4-ol

C15H24N2O — CID 81103568

IUPAC1-[4-(ethylaminomethyl)phenyl]-4-methylpiperidin-4-ol
SMILESCCNCc1ccc(N2CCC(C)(O)CC2)cc1
InChIInChI=1S/C15H24N2O/c1-3-16-12-13-4-6-14(7-5-13)17-10-8-15(2,18)9-11-17/h4-7,16,18H,3,8-12H2,1-2H3
InChIKeyYDFPFBHVMLLINS-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.15
Rot. Bonds4

About 1-[4-(ethylaminomethyl)phenyl]-4-methylpiperidin-4-ol

1-[4-(ethylaminomethyl)phenyl]-4-methylpiperidin-4-ol (PubChem CID 81103568) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[4-(ethylaminomethyl)phenyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[4-(ethylaminomethyl)phenyl]-4-methylpiperidin-4-ol
PubChem CID81103568
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[4-(ethylaminomethyl)phenyl]-4-methylpiperidin-4-ol
SMILESCCNCc1ccc(N2CCC(C)(O)CC2)cc1
InChIInChI=1S/C15H24N2O/c1-3-16-12-13-4-6-14(7-5-13)17-10-8-15(2,18)9-11-17/h4-7,16,18H,3,8-12H2,1-2H3
InChIKeyYDFPFBHVMLLINS-UHFFFAOYSA-N
XLogP2.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[4-(ethylaminomethyl)phenyl]-4-methylpiperidin-4-ol 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

N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
1-[4-[(cyclopropylamino)methyl]phenyl]-4-methylazepan-4-ol
CID 107405481
N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 43280257
N-[[4-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]ethanamine
CID 54977464
1-[4-(ethylaminomethyl)phenyl]pyrrolidine-3,4-diol
CID 106670405
1-(4-hydroxyphenyl)-4-methylpiperidin-4-ol
CID 115025215
N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 62994333
1-(4-chlorophenyl)-4-methylpiperidin-4-ol;ethane
CID 155585717
1-[4-(ethylaminomethyl)-2,6-difluorophenyl]-3-methylpyrrolidin-3-ol
CID 103356930
1-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 62866735
N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63069986
N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]ethanamine
CID 93007627

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylaminomethyl)phenyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[4-(ethylaminomethyl)phenyl]-4-methylpiperidin-4-ol (CID 81103568) is 1-[4-(ethylaminomethyl)phenyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[4-(ethylaminomethyl)phenyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[4-(ethylaminomethyl)phenyl]-4-methylpiperidin-4-ol is CCNCc1ccc(N2CCC(C)(O)CC2)cc1.
What is the InChIKey of 1-[4-(ethylaminomethyl)phenyl]-4-methylpiperidin-4-ol?
The InChIKey is YDFPFBHVMLLINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-16-12-13-4-6-14(7-5-13)17-10-8-15(2,18)9-11-17/h4-7,16,18H,3,8-12H2,1-2H3.
What are the key properties of 1-[4-(ethylaminomethyl)phenyl]-4-methylpiperidin-4-ol?
1-[4-(ethylaminomethyl)phenyl]-4-methylpiperidin-4-ol has a molecular weight of 248.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylaminomethyl)phenyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81103568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).