(2R)-1-amino-3-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]propan-2-ol

C14H20ClFN2O2 — CID 59296037

IUPAC(2R)-1-amino-3-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]propan-2-ol
SMILESNC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C14H20ClFN2O2/c15-13-2-1-12(7-14(13)16)20-11-3-5-18(6-4-11)9-10(19)8-17/h1-2,7,10-11,19H,3-6,8-9,17H2/t10-/m1/s1
InChIKeyIUKHGDSHITUARE-SNVBAGLBSA-N
MW302.78 g/mol
LogP1.64
Rot. Bonds5

About (2R)-1-amino-3-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]propan-2-ol

(2R)-1-amino-3-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]propan-2-ol (PubChem CID 59296037) has the molecular formula C14H20ClFN2O2 and a molecular weight of 302.78 g/mol. Its IUPAC name is (2R)-1-amino-3-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-amino-3-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]propan-2-ol
PubChem CID59296037
Molecular FormulaC14H20ClFN2O2
Molecular Weight302.78 g/mol
Exact Mass302.12
IUPAC Name(2R)-1-amino-3-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]propan-2-ol
SMILESNC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C14H20ClFN2O2/c15-13-2-1-12(7-14(13)16)20-11-3-5-18(6-4-11)9-10(19)8-17/h1-2,7,10-11,19H,3-6,8-9,17H2/t10-/m1/s1
InChIKeyIUKHGDSHITUARE-SNVBAGLBSA-N
XLogP1.64
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-amino-3-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-amino-3-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]propan-2-ol (CID 59296037) is (2R)-1-amino-3-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-amino-3-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-amino-3-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]propan-2-ol is NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of (2R)-1-amino-3-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]propan-2-ol?
The InChIKey is IUKHGDSHITUARE-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20ClFN2O2/c15-13-2-1-12(7-14(13)16)20-11-3-5-18(6-4-11)9-10(19)8-17/h1-2,7,10-11,19H,3-6,8-9,17H2/t10-/m1/s1.
What are the key properties of (2R)-1-amino-3-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]propan-2-ol?
(2R)-1-amino-3-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]propan-2-ol has a molecular weight of 302.78 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-amino-3-[4-(4-chloro-3-fluorophenoxy)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 59296037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).