1-[4-(ethylaminomethyl)-2-methylphenyl]-4-methylpiperidin-3-ol

C16H26N2O — CID 102960877

IUPAC1-[4-(ethylaminomethyl)-2-methylphenyl]-4-methylpiperidin-3-ol
SMILESCCNCc1ccc(N2CCC(C)C(O)C2)c(C)c1
InChIInChI=1S/C16H26N2O/c1-4-17-10-14-5-6-15(13(3)9-14)18-8-7-12(2)16(19)11-18/h5-6,9,12,16-17,19H,4,7-8,10-11H2,1-3H3
InChIKeyJYJSHOBWIGYJMM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.31
Rot. Bonds4

About 1-[4-(ethylaminomethyl)-2-methylphenyl]-4-methylpiperidin-3-ol

1-[4-(ethylaminomethyl)-2-methylphenyl]-4-methylpiperidin-3-ol (PubChem CID 102960877) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[4-(ethylaminomethyl)-2-methylphenyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[4-(ethylaminomethyl)-2-methylphenyl]-4-methylpiperidin-3-ol
PubChem CID102960877
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[4-(ethylaminomethyl)-2-methylphenyl]-4-methylpiperidin-3-ol
SMILESCCNCc1ccc(N2CCC(C)C(O)C2)c(C)c1
InChIInChI=1S/C16H26N2O/c1-4-17-10-14-5-6-15(13(3)9-14)18-8-7-12(2)16(19)11-18/h5-6,9,12,16-17,19H,4,7-8,10-11H2,1-3H3
InChIKeyJYJSHOBWIGYJMM-UHFFFAOYSA-N
XLogP2.31
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-[2-methyl-4-(methylaminomethyl)phenyl]piperidin-3-ol
CID 102960910
N-[[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-methylphenyl]methyl]ethanamine
CID 62121210
3-methyl-1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-ol
CID 114679400
N-[[4-(4-methoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine
CID 62120152
1-[2-chloro-4-(ethylaminomethyl)phenyl]pyrrolidin-3-ol
CID 81148887
1-[4-(ethylaminomethyl)-2-fluorophenyl]-3-methylpiperidin-4-ol
CID 114679351
1-[2-chloro-4-[(2-methylpropylamino)methyl]phenyl]-4-methylpiperidin-3-ol
CID 102960937
N-[[4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine
CID 62125093
N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]methyl]ethanamine
CID 62120512
1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenyl]-4-methylpiperidin-3-ol
CID 102960923
1-[4-(hydroxymethyl)-2-methylphenyl]pyrrolidin-3-ol
CID 62941166
N-[[3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 102961339

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylaminomethyl)-2-methylphenyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[4-(ethylaminomethyl)-2-methylphenyl]-4-methylpiperidin-3-ol (CID 102960877) is 1-[4-(ethylaminomethyl)-2-methylphenyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[4-(ethylaminomethyl)-2-methylphenyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[4-(ethylaminomethyl)-2-methylphenyl]-4-methylpiperidin-3-ol is CCNCc1ccc(N2CCC(C)C(O)C2)c(C)c1.
What is the InChIKey of 1-[4-(ethylaminomethyl)-2-methylphenyl]-4-methylpiperidin-3-ol?
The InChIKey is JYJSHOBWIGYJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-17-10-14-5-6-15(13(3)9-14)18-8-7-12(2)16(19)11-18/h5-6,9,12,16-17,19H,4,7-8,10-11H2,1-3H3.
What are the key properties of 1-[4-(ethylaminomethyl)-2-methylphenyl]-4-methylpiperidin-3-ol?
1-[4-(ethylaminomethyl)-2-methylphenyl]-4-methylpiperidin-3-ol has a molecular weight of 262.40 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylaminomethyl)-2-methylphenyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102960877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).