(3R,4R)-4-amino-1-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol

C19H23ClN2O2 — CID 70787571

IUPAC(3R,4R)-4-amino-1-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol
SMILESN[C@@H]1CCN(Cc2ccccc2OCc2ccc(Cl)cc2)C[C@H]1O
InChIInChI=1S/C19H23ClN2O2/c20-16-7-5-14(6-8-16)13-24-19-4-2-1-3-15(19)11-22-10-9-17(21)18(23)12-22/h1-8,17-18,23H,9-13,21H2/t17-,18-/m1/s1
InChIKeyWBJBHMJUFGFOIT-QZTJIDSGSA-N
MW346.86 g/mol
LogP2.81
Rot. Bonds5

About (3R,4R)-4-amino-1-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol

(3R,4R)-4-amino-1-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol (PubChem CID 70787571) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is (3R,4R)-4-amino-1-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-amino-1-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol
PubChem CID70787571
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name(3R,4R)-4-amino-1-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol
SMILESN[C@@H]1CCN(Cc2ccccc2OCc2ccc(Cl)cc2)C[C@H]1O
InChIInChI=1S/C19H23ClN2O2/c20-16-7-5-14(6-8-16)13-24-19-4-2-1-3-15(19)11-22-10-9-17(21)18(23)12-22/h1-8,17-18,23H,9-13,21H2/t17-,18-/m1/s1
InChIKeyWBJBHMJUFGFOIT-QZTJIDSGSA-N
XLogP2.81
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-amino-1-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-amino-1-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol (CID 70787571) is (3R,4R)-4-amino-1-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-amino-1-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-amino-1-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol is N[C@@H]1CCN(Cc2ccccc2OCc2ccc(Cl)cc2)C[C@H]1O.
What is the InChIKey of (3R,4R)-4-amino-1-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol?
The InChIKey is WBJBHMJUFGFOIT-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c20-16-7-5-14(6-8-16)13-24-19-4-2-1-3-15(19)11-22-10-9-17(21)18(23)12-22/h1-8,17-18,23H,9-13,21H2/t17-,18-/m1/s1.
What are the key properties of (3R,4R)-4-amino-1-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol?
(3R,4R)-4-amino-1-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol has a molecular weight of 346.86 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-1-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]piperidin-3-ol is sourced from PubChem (CID 70787571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).