N-[[4-(4-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine

C18H30N2O — CID 62121726

IUPACN-[[4-(4-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CCC(OCC)CC2)c(C)c1
InChIInChI=1S/C18H30N2O/c1-4-10-19-14-16-6-7-18(15(3)13-16)20-11-8-17(9-12-20)21-5-2/h6-7,13,17,19H,4-5,8-12,14H2,1-3H3
InChIKeyZJZJKGQEEMMVGX-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.50
Rot. Bonds7

About N-[[4-(4-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine

N-[[4-(4-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine (PubChem CID 62121726) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[4-(4-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(4-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine
PubChem CID62121726
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[4-(4-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CCC(OCC)CC2)c(C)c1
InChIInChI=1S/C18H30N2O/c1-4-10-19-14-16-6-7-18(15(3)13-16)20-11-8-17(9-12-20)21-5-2/h6-7,13,17,19H,4-5,8-12,14H2,1-3H3
InChIKeyZJZJKGQEEMMVGX-UHFFFAOYSA-N
XLogP3.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(4-methoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine
CID 62120152
N-[[4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine
CID 62125093
N-[[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-methylphenyl]methyl]propan-1-amine
CID 115560709
N-[[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]methyl]-2-methoxyethanamine
CID 63060255
N-[[4-(3,5-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine
CID 62121174
N-[[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 81143389
2-methoxy-N-[[3-methyl-4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 63058712
1-[2-ethoxy-4-(propylaminomethyl)phenyl]piperidin-4-ol
CID 84749929
4-[2-methyl-4-(propylaminomethyl)phenyl]piperazine-2,6-dione
CID 66085155
N-[[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 81147565
N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62282809
N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]methyl]ethanamine
CID 62120512

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(4-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine (CID 62121726) is N-[[4-(4-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(4-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(4-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine is CCCNCc1ccc(N2CCC(OCC)CC2)c(C)c1.
What is the InChIKey of N-[[4-(4-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine?
The InChIKey is ZJZJKGQEEMMVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-10-19-14-16-6-7-18(15(3)13-16)20-11-8-17(9-12-20)21-5-2/h6-7,13,17,19H,4-5,8-12,14H2,1-3H3.
What are the key properties of N-[[4-(4-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine?
N-[[4-(4-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine is sourced from PubChem (CID 62121726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).