3-ethoxy-4-methoxy-N-(piperidin-4-ylmethyl)aniline

C15H24N2O2 — CID 79708094

IUPAC3-ethoxy-4-methoxy-N-(piperidin-4-ylmethyl)aniline
SMILESCCOc1cc(NCC2CCNCC2)ccc1OC
InChIInChI=1S/C15H24N2O2/c1-3-19-15-10-13(4-5-14(15)18-2)17-11-12-6-8-16-9-7-12/h4-5,10,12,16-17H,3,6-9,11H2,1-2H3
InChIKeyBVHYLTWMBBPAGE-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.51
Rot. Bonds6

About 3-ethoxy-4-methoxy-N-(piperidin-4-ylmethyl)aniline

3-ethoxy-4-methoxy-N-(piperidin-4-ylmethyl)aniline (PubChem CID 79708094) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-ethoxy-4-methoxy-N-(piperidin-4-ylmethyl)aniline.

Molecular Properties

Compound Name3-ethoxy-4-methoxy-N-(piperidin-4-ylmethyl)aniline
PubChem CID79708094
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-ethoxy-4-methoxy-N-(piperidin-4-ylmethyl)aniline
SMILESCCOc1cc(NCC2CCNCC2)ccc1OC
InChIInChI=1S/C15H24N2O2/c1-3-19-15-10-13(4-5-14(15)18-2)17-11-12-6-8-16-9-7-12/h4-5,10,12,16-17H,3,6-9,11H2,1-2H3
InChIKeyBVHYLTWMBBPAGE-UHFFFAOYSA-N
XLogP2.51
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3,4-diethoxy-N-(piperidin-4-ylmethyl)aniline
CID 79699182
3-chloro-4-ethoxy-N-(piperidin-4-ylmethyl)aniline
CID 79707140
3-ethoxy-4-methoxy-N-(oxan-4-ylmethyl)aniline
CID 62384517
N-(piperidin-4-ylmethyl)-3,4-di(propan-2-yloxy)aniline
CID 83961518
3,4-diethoxy-N-(oxolan-3-ylmethyl)aniline
CID 43193089
N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxyaniline
CID 59230810
4-ethoxy-3-fluoro-N-(2-piperidin-4-ylethyl)aniline
CID 115211522
3-chloro-N-(piperidin-4-ylmethyl)-4-propoxyaniline
CID 79707222
N-cyclopentyl-3-ethoxy-4-methoxyaniline
CID 43729865
3-(3-ethoxy-4-methoxyphenyl)pyrrolidine
CID 116989297
3,4-dimethoxy-N-(thiolan-3-ylmethyl)aniline
CID 107131165
(R)-(3-ethoxy-4-methoxyphenyl)-piperidin-4-ylmethanamine
CID 171314559

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methoxy-N-(piperidin-4-ylmethyl)aniline?
The IUPAC name of 3-ethoxy-4-methoxy-N-(piperidin-4-ylmethyl)aniline (CID 79708094) is 3-ethoxy-4-methoxy-N-(piperidin-4-ylmethyl)aniline.
What is the SMILES notation for 3-ethoxy-4-methoxy-N-(piperidin-4-ylmethyl)aniline?
The canonical SMILES for 3-ethoxy-4-methoxy-N-(piperidin-4-ylmethyl)aniline is CCOc1cc(NCC2CCNCC2)ccc1OC.
What is the InChIKey of 3-ethoxy-4-methoxy-N-(piperidin-4-ylmethyl)aniline?
The InChIKey is BVHYLTWMBBPAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-19-15-10-13(4-5-14(15)18-2)17-11-12-6-8-16-9-7-12/h4-5,10,12,16-17H,3,6-9,11H2,1-2H3.
What are the key properties of 3-ethoxy-4-methoxy-N-(piperidin-4-ylmethyl)aniline?
3-ethoxy-4-methoxy-N-(piperidin-4-ylmethyl)aniline has a molecular weight of 264.37 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methoxy-N-(piperidin-4-ylmethyl)aniline is sourced from PubChem (CID 79708094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).