2-ethyl-N-methyl-4-(3-piperidin-1-ylpropoxy)aniline

C17H28N2O — CID 142876314

IUPAC2-ethyl-N-methyl-4-(3-piperidin-1-ylpropoxy)aniline
SMILESCCc1cc(OCCCN2CCCCC2)ccc1NC
InChIInChI=1S/C17H28N2O/c1-3-15-14-16(8-9-17(15)18-2)20-13-7-12-19-10-5-4-6-11-19/h8-9,14,18H,3-7,10-13H2,1-2H3
InChIKeyCHHSYKFCQTYNTI-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.55
Rot. Bonds7

About 2-ethyl-N-methyl-4-(3-piperidin-1-ylpropoxy)aniline

2-ethyl-N-methyl-4-(3-piperidin-1-ylpropoxy)aniline (PubChem CID 142876314) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-ethyl-N-methyl-4-(3-piperidin-1-ylpropoxy)aniline.

Molecular Properties

Compound Name2-ethyl-N-methyl-4-(3-piperidin-1-ylpropoxy)aniline
PubChem CID142876314
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-ethyl-N-methyl-4-(3-piperidin-1-ylpropoxy)aniline
SMILESCCc1cc(OCCCN2CCCCC2)ccc1NC
InChIInChI=1S/C17H28N2O/c1-3-15-14-16(8-9-17(15)18-2)20-13-7-12-19-10-5-4-6-11-19/h8-9,14,18H,3-7,10-13H2,1-2H3
InChIKeyCHHSYKFCQTYNTI-UHFFFAOYSA-N
XLogP3.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(3-piperidin-1-ylpropoxy)aniline
CID 39351364
methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate
CID 58933893
N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide
CID 69070873
1-[3-(4-propylphenoxy)propyl]azepane
CID 91586553
1-[4-(3,4-dimethylphenoxy)butyl]azepane
CID 2194954
[4-propoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol
CID 61494348
1-[3-(2-ethylphenoxy)propyl]pyrrolidine
CID 2262767
3-(3-pyrrolidin-1-ylpropoxy)phenol
CID 61494316
1-[4-(3-ethylphenoxy)butyl]piperidine;oxalic acid
CID 2922693
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
1-[3-(4-butan-2-ylphenoxy)propyl]piperidine;methane
CID 161298234

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-4-(3-piperidin-1-ylpropoxy)aniline?
The IUPAC name of 2-ethyl-N-methyl-4-(3-piperidin-1-ylpropoxy)aniline (CID 142876314) is 2-ethyl-N-methyl-4-(3-piperidin-1-ylpropoxy)aniline.
What is the SMILES notation for 2-ethyl-N-methyl-4-(3-piperidin-1-ylpropoxy)aniline?
The canonical SMILES for 2-ethyl-N-methyl-4-(3-piperidin-1-ylpropoxy)aniline is CCc1cc(OCCCN2CCCCC2)ccc1NC.
What is the InChIKey of 2-ethyl-N-methyl-4-(3-piperidin-1-ylpropoxy)aniline?
The InChIKey is CHHSYKFCQTYNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-15-14-16(8-9-17(15)18-2)20-13-7-12-19-10-5-4-6-11-19/h8-9,14,18H,3-7,10-13H2,1-2H3.
What are the key properties of 2-ethyl-N-methyl-4-(3-piperidin-1-ylpropoxy)aniline?
2-ethyl-N-methyl-4-(3-piperidin-1-ylpropoxy)aniline has a molecular weight of 276.42 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-4-(3-piperidin-1-ylpropoxy)aniline is sourced from PubChem (CID 142876314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).