N-ethoxy-4-methoxy-3-piperidin-1-ylaniline;hydrochloride

C14H23ClN2O2 — CID 87953604

IUPACN-ethoxy-4-methoxy-3-piperidin-1-ylaniline;hydrochloride
SMILESCCONc1ccc(OC)c(N2CCCCC2)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-3-18-15-12-7-8-14(17-2)13(11-12)16-9-5-4-6-10-16;/h7-8,11,15H,3-6,9-10H2,1-2H3;1H
InChIKeyUQGNWVSALGLGLM-UHFFFAOYSA-N
MW286.80 g/mol
LogP3.47
Rot. Bonds5

About N-ethoxy-4-methoxy-3-piperidin-1-ylaniline;hydrochloride

N-ethoxy-4-methoxy-3-piperidin-1-ylaniline;hydrochloride (PubChem CID 87953604) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is N-ethoxy-4-methoxy-3-piperidin-1-ylaniline;hydrochloride.

Molecular Properties

Compound NameN-ethoxy-4-methoxy-3-piperidin-1-ylaniline;hydrochloride
PubChem CID87953604
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC NameN-ethoxy-4-methoxy-3-piperidin-1-ylaniline;hydrochloride
SMILESCCONc1ccc(OC)c(N2CCCCC2)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-3-18-15-12-7-8-14(17-2)13(11-12)16-9-5-4-6-10-16;/h7-8,11,15H,3-6,9-10H2,1-2H3;1H
InChIKeyUQGNWVSALGLGLM-UHFFFAOYSA-N
XLogP3.47
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-3-(4-methylpiperazin-1-yl)-N-propoxyaniline
CID 175052036
1-(5-chloro-2-methoxyphenyl)pyrrolidine
CID 82538228
1-(2-ethoxy-5-iodophenyl)pyrrolidine
CID 168515191
4-(4-methoxy-3-pyrrolidin-1-ylphenyl)-1,2,4-triazole
CID 168514328
4-methoxy-N-phenyl-3-pyrrolidin-1-ylbenzamide
CID 168511942
1-(2-methoxy-4-propoxyphenyl)pyrrolidine
CID 144603099
1-(4-methoxy-3-pyrrolidin-1-ylphenyl)-3-methylbutan-1-one
CID 94274092
N-[[4-(azepan-1-yl)-3-methoxyphenyl]methyl]propan-1-amine
CID 84754166
4,5-dimethoxy-2-piperidin-1-ylaniline
CID 616846
8-methoxy-5-piperidin-1-ylquinoline
CID 86218648
4-methoxy-3-piperidin-1-ylpyridine
CID 152705375
3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 30493384

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-4-methoxy-3-piperidin-1-ylaniline;hydrochloride?
The IUPAC name of N-ethoxy-4-methoxy-3-piperidin-1-ylaniline;hydrochloride (CID 87953604) is N-ethoxy-4-methoxy-3-piperidin-1-ylaniline;hydrochloride.
What is the SMILES notation for N-ethoxy-4-methoxy-3-piperidin-1-ylaniline;hydrochloride?
The canonical SMILES for N-ethoxy-4-methoxy-3-piperidin-1-ylaniline;hydrochloride is CCONc1ccc(OC)c(N2CCCCC2)c1.Cl.
What is the InChIKey of N-ethoxy-4-methoxy-3-piperidin-1-ylaniline;hydrochloride?
The InChIKey is UQGNWVSALGLGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-3-18-15-12-7-8-14(17-2)13(11-12)16-9-5-4-6-10-16;/h7-8,11,15H,3-6,9-10H2,1-2H3;1H.
What are the key properties of N-ethoxy-4-methoxy-3-piperidin-1-ylaniline;hydrochloride?
N-ethoxy-4-methoxy-3-piperidin-1-ylaniline;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-4-methoxy-3-piperidin-1-ylaniline;hydrochloride is sourced from PubChem (CID 87953604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).