3,4-diethoxy-N-(piperidin-4-ylmethyl)aniline

C16H26N2O2 — CID 79699182

IUPAC3,4-diethoxy-N-(piperidin-4-ylmethyl)aniline
SMILESCCOc1ccc(NCC2CCNCC2)cc1OCC
InChIInChI=1S/C16H26N2O2/c1-3-19-15-6-5-14(11-16(15)20-4-2)18-12-13-7-9-17-10-8-13/h5-6,11,13,17-18H,3-4,7-10,12H2,1-2H3
InChIKeyLRIUONLMARQBQM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.90
Rot. Bonds7

About 3,4-diethoxy-N-(piperidin-4-ylmethyl)aniline

3,4-diethoxy-N-(piperidin-4-ylmethyl)aniline (PubChem CID 79699182) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3,4-diethoxy-N-(piperidin-4-ylmethyl)aniline.

Molecular Properties

Compound Name3,4-diethoxy-N-(piperidin-4-ylmethyl)aniline
PubChem CID79699182
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3,4-diethoxy-N-(piperidin-4-ylmethyl)aniline
SMILESCCOc1ccc(NCC2CCNCC2)cc1OCC
InChIInChI=1S/C16H26N2O2/c1-3-19-15-6-5-14(11-16(15)20-4-2)18-12-13-7-9-17-10-8-13/h5-6,11,13,17-18H,3-4,7-10,12H2,1-2H3
InChIKeyLRIUONLMARQBQM-UHFFFAOYSA-N
XLogP2.90
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.90
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-ethoxy-4-methoxy-N-(piperidin-4-ylmethyl)aniline
CID 79708094
3-chloro-4-ethoxy-N-(piperidin-4-ylmethyl)aniline
CID 79707140
3,4-diethoxy-N-(oxolan-3-ylmethyl)aniline
CID 43193089
N-(piperidin-4-ylmethyl)-3,4-di(propan-2-yloxy)aniline
CID 83961518
4-ethoxy-3-fluoro-N-(2-piperidin-4-ylethyl)aniline
CID 115211522
3-chloro-N-(piperidin-4-ylmethyl)-4-propoxyaniline
CID 79707222
3-ethoxy-4-methoxy-N-(oxan-4-ylmethyl)aniline
CID 62384517
N-(piperidin-3-ylmethyl)-3,4-dipropoxyaniline
CID 83961573
4-ethyl-N-(piperidin-4-ylmethyl)aniline;propane
CID 144503666
3-(chloromethyl)-N-(cyclopentylmethyl)-4-ethoxyaniline
CID 65025087
4-(difluoromethoxy)-3-fluoro-N-(piperidin-4-ylmethyl)aniline
CID 79708271
4-N,4-N-dimethyl-1-N-(piperidin-4-ylmethyl)benzene-1,4-diamine
CID 79708402

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-(piperidin-4-ylmethyl)aniline?
The IUPAC name of 3,4-diethoxy-N-(piperidin-4-ylmethyl)aniline (CID 79699182) is 3,4-diethoxy-N-(piperidin-4-ylmethyl)aniline.
What is the SMILES notation for 3,4-diethoxy-N-(piperidin-4-ylmethyl)aniline?
The canonical SMILES for 3,4-diethoxy-N-(piperidin-4-ylmethyl)aniline is CCOc1ccc(NCC2CCNCC2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-(piperidin-4-ylmethyl)aniline?
The InChIKey is LRIUONLMARQBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-19-15-6-5-14(11-16(15)20-4-2)18-12-13-7-9-17-10-8-13/h5-6,11,13,17-18H,3-4,7-10,12H2,1-2H3.
What are the key properties of 3,4-diethoxy-N-(piperidin-4-ylmethyl)aniline?
3,4-diethoxy-N-(piperidin-4-ylmethyl)aniline has a molecular weight of 278.40 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-(piperidin-4-ylmethyl)aniline is sourced from PubChem (CID 79699182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).