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

C15H24N2O2 — CID 66515878

IUPAC(2R)-2-amino-2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol
SMILESCOc1ccc([C@@H](N)CO)cc1CN1CCCCC1
InChIInChI=1S/C15H24N2O2/c1-19-15-6-5-12(14(16)11-18)9-13(15)10-17-7-3-2-4-8-17/h5-6,9,14,18H,2-4,7-8,10-11,16H2,1H3/t14-/m0/s1
InChIKeyBEWGCDBKWDWCIX-AWEZNQCLSA-N
MW264.37 g/mol
LogP1.67
Rot. Bonds5

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

(2R)-2-amino-2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol (PubChem CID 66515878) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2R)-2-amino-2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol
PubChem CID66515878
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2R)-2-amino-2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol
SMILESCOc1ccc([C@@H](N)CO)cc1CN1CCCCC1
InChIInChI=1S/C15H24N2O2/c1-19-15-6-5-12(14(16)11-18)9-13(15)10-17-7-3-2-4-8-17/h5-6,9,14,18H,2-4,7-8,10-11,16H2,1H3/t14-/m0/s1
InChIKeyBEWGCDBKWDWCIX-AWEZNQCLSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol?
The IUPAC name of (2R)-2-amino-2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol (CID 66515878) is (2R)-2-amino-2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol.
What is the SMILES notation for (2R)-2-amino-2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol?
The canonical SMILES for (2R)-2-amino-2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol is COc1ccc([C@@H](N)CO)cc1CN1CCCCC1.
What is the InChIKey of (2R)-2-amino-2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol?
The InChIKey is BEWGCDBKWDWCIX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-19-15-6-5-12(14(16)11-18)9-13(15)10-17-7-3-2-4-8-17/h5-6,9,14,18H,2-4,7-8,10-11,16H2,1H3/t14-/m0/s1.
What are the key properties of (2R)-2-amino-2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol?
(2R)-2-amino-2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol has a molecular weight of 264.37 g/mol, XLogP of 1.67, 5 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-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol is sourced from PubChem (CID 66515878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).