(2R)-3-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]propan-1-amine

C14H21FN2 — CID 95241738

IUPAC(2R)-3-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]propan-1-amine
SMILESNC[C@@H](Cc1ccc(F)cc1)[C@@H]1CCCCN1
InChIInChI=1S/C14H21FN2/c15-13-6-4-11(5-7-13)9-12(10-16)14-3-1-2-8-17-14/h4-7,12,14,17H,1-3,8-10,16H2/t12-,14+/m1/s1
InChIKeyOCTFQZCEZPAXSY-OCCSQVGLSA-N
MW236.33 g/mol
LogP2.09
Rot. Bonds4

About (2R)-3-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]propan-1-amine

(2R)-3-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]propan-1-amine (PubChem CID 95241738) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is (2R)-3-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name(2R)-3-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]propan-1-amine
PubChem CID95241738
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name(2R)-3-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]propan-1-amine
SMILESNC[C@@H](Cc1ccc(F)cc1)[C@@H]1CCCCN1
InChIInChI=1S/C14H21FN2/c15-13-6-4-11(5-7-13)9-12(10-16)14-3-1-2-8-17-14/h4-7,12,14,17H,1-3,8-10,16H2/t12-,14+/m1/s1
InChIKeyOCTFQZCEZPAXSY-OCCSQVGLSA-N
XLogP2.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-3-(4-fluorophenyl)propan-1-amine
CID 82075851
(4-fluorophenyl)-piperidin-2-ylmethanamine
CID 116935636
(2R)-4-methyl-2-[(2R)-piperidin-2-yl]pentan-1-amine
CID 95241639
(2R)-4-methyl-2-[(2S)-piperidin-2-yl]pentan-1-amine
CID 95241637
2-(2-fluorophenyl)-2-piperidin-2-ylethanamine
CID 83987267
2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethanamine
CID 173158939
2-(2,5-difluorophenyl)-1-piperidin-2-ylethanol
CID 106634597
2-(5-fluoro-1H-indol-3-yl)-2-piperidin-2-ylethanamine
CID 83987551
2-[1-(2,4-difluorophenyl)propan-2-yl]pyrrolidine
CID 83911133
2-(4-chlorophenyl)-2-piperidin-2-ylethanamine
CID 83986370
(2S)-2-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetic acid
CID 10657508
2-piperidin-2-ylpropane-1,3-diol
CID 15749478

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]propan-1-amine?
The IUPAC name of (2R)-3-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]propan-1-amine (CID 95241738) is (2R)-3-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]propan-1-amine.
What is the SMILES notation for (2R)-3-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]propan-1-amine?
The canonical SMILES for (2R)-3-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]propan-1-amine is NC[C@@H](Cc1ccc(F)cc1)[C@@H]1CCCCN1.
What is the InChIKey of (2R)-3-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]propan-1-amine?
The InChIKey is OCTFQZCEZPAXSY-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H21FN2/c15-13-6-4-11(5-7-13)9-12(10-16)14-3-1-2-8-17-14/h4-7,12,14,17H,1-3,8-10,16H2/t12-,14+/m1/s1.
What are the key properties of (2R)-3-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]propan-1-amine?
(2R)-3-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]propan-1-amine has a molecular weight of 236.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]propan-1-amine is sourced from PubChem (CID 95241738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).