(2S,4R)-2-(3-fluorophenyl)-N-propan-2-ylpiperidin-4-amine

C14H21FN2 — CID 167460306

IUPAC(2S,4R)-2-(3-fluorophenyl)-N-propan-2-ylpiperidin-4-amine
SMILESCC(C)N[C@@H]1CCN[C@H](c2cccc(F)c2)C1
InChIInChI=1S/C14H21FN2/c1-10(2)17-13-6-7-16-14(9-13)11-4-3-5-12(15)8-11/h3-5,8,10,13-14,16-17H,6-7,9H2,1-2H3/t13-,14+/m1/s1
InChIKeySWMPSLAECCZFDT-KGLIPLIRSA-N
MW236.33 g/mol
LogP2.62
Rot. Bonds3

About (2S,4R)-2-(3-fluorophenyl)-N-propan-2-ylpiperidin-4-amine

(2S,4R)-2-(3-fluorophenyl)-N-propan-2-ylpiperidin-4-amine (PubChem CID 167460306) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is (2S,4R)-2-(3-fluorophenyl)-N-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name(2S,4R)-2-(3-fluorophenyl)-N-propan-2-ylpiperidin-4-amine
PubChem CID167460306
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name(2S,4R)-2-(3-fluorophenyl)-N-propan-2-ylpiperidin-4-amine
SMILESCC(C)N[C@@H]1CCN[C@H](c2cccc(F)c2)C1
InChIInChI=1S/C14H21FN2/c1-10(2)17-13-6-7-16-14(9-13)11-4-3-5-12(15)8-11/h3-5,8,10,13-14,16-17H,6-7,9H2,1-2H3/t13-,14+/m1/s1
InChIKeySWMPSLAECCZFDT-KGLIPLIRSA-N
XLogP2.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-(3-fluorophenyl)-N-propan-2-ylpiperidin-4-amine?
The IUPAC name of (2S,4R)-2-(3-fluorophenyl)-N-propan-2-ylpiperidin-4-amine (CID 167460306) is (2S,4R)-2-(3-fluorophenyl)-N-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for (2S,4R)-2-(3-fluorophenyl)-N-propan-2-ylpiperidin-4-amine?
The canonical SMILES for (2S,4R)-2-(3-fluorophenyl)-N-propan-2-ylpiperidin-4-amine is CC(C)N[C@@H]1CCN[C@H](c2cccc(F)c2)C1.
What is the InChIKey of (2S,4R)-2-(3-fluorophenyl)-N-propan-2-ylpiperidin-4-amine?
The InChIKey is SWMPSLAECCZFDT-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10(2)17-13-6-7-16-14(9-13)11-4-3-5-12(15)8-11/h3-5,8,10,13-14,16-17H,6-7,9H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of (2S,4R)-2-(3-fluorophenyl)-N-propan-2-ylpiperidin-4-amine?
(2S,4R)-2-(3-fluorophenyl)-N-propan-2-ylpiperidin-4-amine has a molecular weight of 236.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-(3-fluorophenyl)-N-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 167460306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).