(2R)-1-(4-fluorophenyl)-3-(4-methoxypiperidin-1-yl)but-3-en-2-amine

C16H23FN2O — CID 89160653

IUPAC(2R)-1-(4-fluorophenyl)-3-(4-methoxypiperidin-1-yl)but-3-en-2-amine
SMILESC=C([C@H](N)Cc1ccc(F)cc1)N1CCC(OC)CC1
InChIInChI=1S/C16H23FN2O/c1-12(19-9-7-15(20-2)8-10-19)16(18)11-13-3-5-14(17)6-4-13/h3-6,15-16H,1,7-11,18H2,2H3/t16-/m1/s1
InChIKeyJOPMLQKSURJDHJ-MRXNPFEDSA-N
MW278.37 g/mol
LogP2.32
Rot. Bonds5

About (2R)-1-(4-fluorophenyl)-3-(4-methoxypiperidin-1-yl)but-3-en-2-amine

(2R)-1-(4-fluorophenyl)-3-(4-methoxypiperidin-1-yl)but-3-en-2-amine (PubChem CID 89160653) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is (2R)-1-(4-fluorophenyl)-3-(4-methoxypiperidin-1-yl)but-3-en-2-amine.

Molecular Properties

Compound Name(2R)-1-(4-fluorophenyl)-3-(4-methoxypiperidin-1-yl)but-3-en-2-amine
PubChem CID89160653
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name(2R)-1-(4-fluorophenyl)-3-(4-methoxypiperidin-1-yl)but-3-en-2-amine
SMILESC=C([C@H](N)Cc1ccc(F)cc1)N1CCC(OC)CC1
InChIInChI=1S/C16H23FN2O/c1-12(19-9-7-15(20-2)8-10-19)16(18)11-13-3-5-14(17)6-4-13/h3-6,15-16H,1,7-11,18H2,2H3/t16-/m1/s1
InChIKeyJOPMLQKSURJDHJ-MRXNPFEDSA-N
XLogP2.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-fluorophenyl)-3-(4-methoxypiperidin-1-yl)but-3-en-2-amine?
The IUPAC name of (2R)-1-(4-fluorophenyl)-3-(4-methoxypiperidin-1-yl)but-3-en-2-amine (CID 89160653) is (2R)-1-(4-fluorophenyl)-3-(4-methoxypiperidin-1-yl)but-3-en-2-amine.
What is the SMILES notation for (2R)-1-(4-fluorophenyl)-3-(4-methoxypiperidin-1-yl)but-3-en-2-amine?
The canonical SMILES for (2R)-1-(4-fluorophenyl)-3-(4-methoxypiperidin-1-yl)but-3-en-2-amine is C=C([C@H](N)Cc1ccc(F)cc1)N1CCC(OC)CC1.
What is the InChIKey of (2R)-1-(4-fluorophenyl)-3-(4-methoxypiperidin-1-yl)but-3-en-2-amine?
The InChIKey is JOPMLQKSURJDHJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-12(19-9-7-15(20-2)8-10-19)16(18)11-13-3-5-14(17)6-4-13/h3-6,15-16H,1,7-11,18H2,2H3/t16-/m1/s1.
What are the key properties of (2R)-1-(4-fluorophenyl)-3-(4-methoxypiperidin-1-yl)but-3-en-2-amine?
(2R)-1-(4-fluorophenyl)-3-(4-methoxypiperidin-1-yl)but-3-en-2-amine has a molecular weight of 278.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-fluorophenyl)-3-(4-methoxypiperidin-1-yl)but-3-en-2-amine is sourced from PubChem (CID 89160653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).