(3R,4S)-3-ethoxy-N-(1-phenylethyl)piperidin-4-amine

C15H24N2O — CID 141266125

IUPAC(3R,4S)-3-ethoxy-N-(1-phenylethyl)piperidin-4-amine
SMILESCCO[C@@H]1CNCC[C@@H]1NC(C)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-18-15-11-16-10-9-14(15)17-12(2)13-7-5-4-6-8-13/h4-8,12,14-17H,3,9-11H2,1-2H3/t12?,14-,15+/m0/s1
InChIKeyQWMLGBOYCQCUMD-JQXSQYPDSA-N
MW248.37 g/mol
LogP2.10
Rot. Bonds5

About (3R,4S)-3-ethoxy-N-(1-phenylethyl)piperidin-4-amine

(3R,4S)-3-ethoxy-N-(1-phenylethyl)piperidin-4-amine (PubChem CID 141266125) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (3R,4S)-3-ethoxy-N-(1-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound Name(3R,4S)-3-ethoxy-N-(1-phenylethyl)piperidin-4-amine
PubChem CID141266125
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(3R,4S)-3-ethoxy-N-(1-phenylethyl)piperidin-4-amine
SMILESCCO[C@@H]1CNCC[C@@H]1NC(C)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-18-15-11-16-10-9-14(15)17-12(2)13-7-5-4-6-8-13/h4-8,12,14-17H,3,9-11H2,1-2H3/t12?,14-,15+/m0/s1
InChIKeyQWMLGBOYCQCUMD-JQXSQYPDSA-N
XLogP2.10
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-ethoxy-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 10988624
(3R,4R)-3-fluoro-N-[(1R)-1-phenylethyl]piperidin-4-amine
CID 67650944
(3R,4R)-3-butyl-N-(1-phenylethyl)piperidin-4-amine
CID 149434678
[3-[[(1R)-1-phenylethyl]amino]piperidin-4-yl]methanol
CID 174553804
N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 81351686
3-[(3R)-3-[[(1S)-1-phenylethyl]amino]piperidin-4-yl]propanoic acid
CID 134420583
3-ethoxy-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
CID 114987233
cis-(1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclobutan-1-ol
CID 10609367
1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine
CID 23154294
(1R,2R,5R,6R)-2-N,6-N-bis(1-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine
CID 10883424
trans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 45095253
cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine
CID 58193955

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-ethoxy-N-(1-phenylethyl)piperidin-4-amine?
The IUPAC name of (3R,4S)-3-ethoxy-N-(1-phenylethyl)piperidin-4-amine (CID 141266125) is (3R,4S)-3-ethoxy-N-(1-phenylethyl)piperidin-4-amine.
What is the SMILES notation for (3R,4S)-3-ethoxy-N-(1-phenylethyl)piperidin-4-amine?
The canonical SMILES for (3R,4S)-3-ethoxy-N-(1-phenylethyl)piperidin-4-amine is CCO[C@@H]1CNCC[C@@H]1NC(C)c1ccccc1.
What is the InChIKey of (3R,4S)-3-ethoxy-N-(1-phenylethyl)piperidin-4-amine?
The InChIKey is QWMLGBOYCQCUMD-JQXSQYPDSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-18-15-11-16-10-9-14(15)17-12(2)13-7-5-4-6-8-13/h4-8,12,14-17H,3,9-11H2,1-2H3/t12?,14-,15+/m0/s1.
What are the key properties of (3R,4S)-3-ethoxy-N-(1-phenylethyl)piperidin-4-amine?
(3R,4S)-3-ethoxy-N-(1-phenylethyl)piperidin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-ethoxy-N-(1-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 141266125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).