(2S)-2-amino-2-(2-ethoxy-4-piperidin-1-ylphenyl)ethanol

C15H24N2O2 — CID 66515895

IUPAC(2S)-2-amino-2-(2-ethoxy-4-piperidin-1-ylphenyl)ethanol
SMILESCCOc1cc(N2CCCCC2)ccc1[C@H](N)CO
InChIInChI=1S/C15H24N2O2/c1-2-19-15-10-12(17-8-4-3-5-9-17)6-7-13(15)14(16)11-18/h6-7,10,14,18H,2-5,8-9,11,16H2,1H3/t14-/m1/s1
InChIKeyRIBLXHOZXZXQLZ-CQSZACIVSA-N
MW264.37 g/mol
LogP2.07
Rot. Bonds5

About (2S)-2-amino-2-(2-ethoxy-4-piperidin-1-ylphenyl)ethanol

(2S)-2-amino-2-(2-ethoxy-4-piperidin-1-ylphenyl)ethanol (PubChem CID 66515895) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-2-amino-2-(2-ethoxy-4-piperidin-1-ylphenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(2-ethoxy-4-piperidin-1-ylphenyl)ethanol
PubChem CID66515895
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2S)-2-amino-2-(2-ethoxy-4-piperidin-1-ylphenyl)ethanol
SMILESCCOc1cc(N2CCCCC2)ccc1[C@H](N)CO
InChIInChI=1S/C15H24N2O2/c1-2-19-15-10-12(17-8-4-3-5-9-17)6-7-13(15)14(16)11-18/h6-7,10,14,18H,2-5,8-9,11,16H2,1H3/t14-/m1/s1
InChIKeyRIBLXHOZXZXQLZ-CQSZACIVSA-N
XLogP2.07
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-2-(2-methyl-4-pyrrolidin-1-ylphenyl)ethanol
CID 66514395
(2S)-2-amino-2-(2-chloro-4-pyrrolidin-1-ylphenyl)ethanol
CID 66515532
methyl 2-amino-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)propanoate
CID 170884554
(2R)-2-amino-2-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol
CID 66515789
(E)-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 170878130
(1S)-1-(2-methyl-4-piperidin-1-ylphenyl)ethane-1,2-diamine
CID 66518007
(2R)-2-amino-2-(4-pyrrolidin-1-yl-2-pyridinyl)ethanol
CID 96862844
2-amino-2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)ethanol
CID 77130562
(2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride
CID 171236557
(1S)-1-(2-methyl-4-pyrrolidin-1-ylphenyl)ethane-1,2-diamine
CID 66517550
(2R)-2-amino-2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol
CID 66516038
3-ethoxy-5-pyrrolidin-1-ylaniline
CID 80725867

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2-ethoxy-4-piperidin-1-ylphenyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(2-ethoxy-4-piperidin-1-ylphenyl)ethanol (CID 66515895) is (2S)-2-amino-2-(2-ethoxy-4-piperidin-1-ylphenyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(2-ethoxy-4-piperidin-1-ylphenyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(2-ethoxy-4-piperidin-1-ylphenyl)ethanol is CCOc1cc(N2CCCCC2)ccc1[C@H](N)CO.
What is the InChIKey of (2S)-2-amino-2-(2-ethoxy-4-piperidin-1-ylphenyl)ethanol?
The InChIKey is RIBLXHOZXZXQLZ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-19-15-10-12(17-8-4-3-5-9-17)6-7-13(15)14(16)11-18/h6-7,10,14,18H,2-5,8-9,11,16H2,1H3/t14-/m1/s1.
What are the key properties of (2S)-2-amino-2-(2-ethoxy-4-piperidin-1-ylphenyl)ethanol?
(2S)-2-amino-2-(2-ethoxy-4-piperidin-1-ylphenyl)ethanol has a molecular weight of 264.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2-ethoxy-4-piperidin-1-ylphenyl)ethanol is sourced from PubChem (CID 66515895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).