(2R)-2-amino-2-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol

C16H26N2O2 — CID 66515789

IUPAC(2R)-2-amino-2-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol
SMILESCCOc1ccc([C@@H](N)CO)cc1CN1CCCCC1
InChIInChI=1S/C16H26N2O2/c1-2-20-16-7-6-13(15(17)12-19)10-14(16)11-18-8-4-3-5-9-18/h6-7,10,15,19H,2-5,8-9,11-12,17H2,1H3/t15-/m0/s1
InChIKeyRYZQNVZJCKSRPS-HNNXBMFYSA-N
MW278.40 g/mol
LogP2.06
Rot. Bonds6

About (2R)-2-amino-2-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol

(2R)-2-amino-2-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol (PubChem CID 66515789) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2R)-2-amino-2-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol
PubChem CID66515789
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2R)-2-amino-2-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol
SMILESCCOc1ccc([C@@H](N)CO)cc1CN1CCCCC1
InChIInChI=1S/C16H26N2O2/c1-2-20-16-7-6-13(15(17)12-19)10-14(16)11-18-8-4-3-5-9-18/h6-7,10,15,19H,2-5,8-9,11-12,17H2,1H3/t15-/m0/s1
InChIKeyRYZQNVZJCKSRPS-HNNXBMFYSA-N
XLogP2.06
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol
CID 66515878
1-[3-(azepan-1-ylmethyl)-4-ethoxyphenyl]ethanone
CID 60644688
2-amino-2-(4-ethoxy-3-fluorophenyl)ethanol
CID 82282191
2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
CID 77128086
3-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]propan-1-amine
CID 170868003
1-[3-[(4,4-dimethylpiperidin-1-yl)methyl]-4-ethoxyphenyl]ethanol
CID 62931458
(2R)-2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)ethanol
CID 66514904
(2S)-2-amino-2-(2-ethoxy-4-piperidin-1-ylphenyl)ethanol
CID 66515895
1-[(2-ethoxy-4,5-difluorophenyl)methyl]pyrrolidine;methanamine
CID 177027717
4-ethoxy-3-[(4-ethylpiperazin-1-yl)methyl]aniline
CID 43259559
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanamine
CID 60860556
4-butoxy-3-(piperidin-1-ylmethyl)aniline
CID 154231160

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol?
The IUPAC name of (2R)-2-amino-2-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol (CID 66515789) is (2R)-2-amino-2-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol.
What is the SMILES notation for (2R)-2-amino-2-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol?
The canonical SMILES for (2R)-2-amino-2-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol is CCOc1ccc([C@@H](N)CO)cc1CN1CCCCC1.
What is the InChIKey of (2R)-2-amino-2-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol?
The InChIKey is RYZQNVZJCKSRPS-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-20-16-7-6-13(15(17)12-19)10-14(16)11-18-8-4-3-5-9-18/h6-7,10,15,19H,2-5,8-9,11-12,17H2,1H3/t15-/m0/s1.
What are the key properties of (2R)-2-amino-2-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol?
(2R)-2-amino-2-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol has a molecular weight of 278.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol is sourced from PubChem (CID 66515789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).