N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]ethanamine

C17H28N2O — CID 62427121

IUPACN-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1CN1CCC(OCC)CC1
InChIInChI=1S/C17H28N2O/c1-3-18-13-15-7-5-6-8-16(15)14-19-11-9-17(10-12-19)20-4-2/h5-8,17-18H,3-4,9-14H2,1-2H3
InChIKeyRWJSUOUTLRADPX-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.80
Rot. Bonds7

About N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]ethanamine

N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]ethanamine (PubChem CID 62427121) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]ethanamine
PubChem CID62427121
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1CN1CCC(OCC)CC1
InChIInChI=1S/C17H28N2O/c1-3-18-13-15-7-5-6-8-16(15)14-19-11-9-17(10-12-19)20-4-2/h5-8,17-18H,3-4,9-14H2,1-2H3
InChIKeyRWJSUOUTLRADPX-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62427122
N-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 55155178
4-ethoxy-N-ethyl-N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
CID 111960507
2-chloro-6-[(4-ethoxypiperidin-1-yl)methyl]phenol
CID 112553476
2-bromo-3-[(4-ethoxypiperidin-1-yl)methyl]aniline
CID 114048479
N-[[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 79184325
[3-[(4-ethoxypiperidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 62470788
1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 111778142
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62438160
4-ethoxy-N-[(2-ethoxyphenyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111960028
1-[[2-[[(2-methylphenyl)methylamino]methyl]phenyl]methyl]piperidin-4-ol
CID 111778128
4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958210

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]ethanamine (CID 62427121) is N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]ethanamine is CCNCc1ccccc1CN1CCC(OCC)CC1.
What is the InChIKey of N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]ethanamine?
The InChIKey is RWJSUOUTLRADPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-18-13-15-7-5-6-8-16(15)14-19-11-9-17(10-12-19)20-4-2/h5-8,17-18H,3-4,9-14H2,1-2H3.
What are the key properties of N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]ethanamine?
N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]ethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 62427121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).