(1R,2S,3R,5R)-3-amino-2-(4-benzylpiperidin-1-yl)-5-(2-fluorophenoxy)cyclopentan-1-ol

C23H29FN2O2 — CID 110155488

IUPAC(1R,2S,3R,5R)-3-amino-2-(4-benzylpiperidin-1-yl)-5-(2-fluorophenoxy)cyclopentan-1-ol
SMILESN[C@@H]1C[C@@H](Oc2ccccc2F)[C@H](O)[C@H]1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H29FN2O2/c24-18-8-4-5-9-20(18)28-21-15-19(25)22(23(21)27)26-12-10-17(11-13-26)14-16-6-2-1-3-7-16/h1-9,17,19,21-23,27H,10-15,25H2/t19-,21-,22+,23+/m1/s1
InChIKeyZEHVCOMAVHRJSL-LGKPFJOYSA-N
MW384.50 g/mol
LogP2.99
Rot. Bonds5

About (1R,2S,3R,5R)-3-amino-2-(4-benzylpiperidin-1-yl)-5-(2-fluorophenoxy)cyclopentan-1-ol

(1R,2S,3R,5R)-3-amino-2-(4-benzylpiperidin-1-yl)-5-(2-fluorophenoxy)cyclopentan-1-ol (PubChem CID 110155488) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-amino-2-(4-benzylpiperidin-1-yl)-5-(2-fluorophenoxy)cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-amino-2-(4-benzylpiperidin-1-yl)-5-(2-fluorophenoxy)cyclopentan-1-ol
PubChem CID110155488
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC Name(1R,2S,3R,5R)-3-amino-2-(4-benzylpiperidin-1-yl)-5-(2-fluorophenoxy)cyclopentan-1-ol
SMILESN[C@@H]1C[C@@H](Oc2ccccc2F)[C@H](O)[C@H]1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H29FN2O2/c24-18-8-4-5-9-20(18)28-21-15-19(25)22(23(21)27)26-12-10-17(11-13-26)14-16-6-2-1-3-7-16/h1-9,17,19,21-23,27H,10-15,25H2/t19-,21-,22+,23+/m1/s1
InChIKeyZEHVCOMAVHRJSL-LGKPFJOYSA-N
XLogP2.99
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-amino-2-(4-benzylpiperidin-1-yl)-5-(2-fluorophenoxy)cyclopentan-1-ol?
The IUPAC name of (1R,2S,3R,5R)-3-amino-2-(4-benzylpiperidin-1-yl)-5-(2-fluorophenoxy)cyclopentan-1-ol (CID 110155488) is (1R,2S,3R,5R)-3-amino-2-(4-benzylpiperidin-1-yl)-5-(2-fluorophenoxy)cyclopentan-1-ol.
What is the SMILES notation for (1R,2S,3R,5R)-3-amino-2-(4-benzylpiperidin-1-yl)-5-(2-fluorophenoxy)cyclopentan-1-ol?
The canonical SMILES for (1R,2S,3R,5R)-3-amino-2-(4-benzylpiperidin-1-yl)-5-(2-fluorophenoxy)cyclopentan-1-ol is N[C@@H]1C[C@@H](Oc2ccccc2F)[C@H](O)[C@H]1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (1R,2S,3R,5R)-3-amino-2-(4-benzylpiperidin-1-yl)-5-(2-fluorophenoxy)cyclopentan-1-ol?
The InChIKey is ZEHVCOMAVHRJSL-LGKPFJOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c24-18-8-4-5-9-20(18)28-21-15-19(25)22(23(21)27)26-12-10-17(11-13-26)14-16-6-2-1-3-7-16/h1-9,17,19,21-23,27H,10-15,25H2/t19-,21-,22+,23+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-amino-2-(4-benzylpiperidin-1-yl)-5-(2-fluorophenoxy)cyclopentan-1-ol?
(1R,2S,3R,5R)-3-amino-2-(4-benzylpiperidin-1-yl)-5-(2-fluorophenoxy)cyclopentan-1-ol has a molecular weight of 384.50 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-amino-2-(4-benzylpiperidin-1-yl)-5-(2-fluorophenoxy)cyclopentan-1-ol is sourced from PubChem (CID 110155488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).