1-[3-(4-fluoropiperidin-4-yl)phenyl]propan-2-amine

C14H21FN2 — CID 84727421

IUPAC1-[3-(4-fluoropiperidin-4-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(C2(F)CCNCC2)c1
InChIInChI=1S/C14H21FN2/c1-11(16)9-12-3-2-4-13(10-12)14(15)5-7-17-8-6-14/h2-4,10-11,17H,5-9,16H2,1H3
InChIKeyVCINHLQJNRIZOV-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.12
Rot. Bonds3

About 1-[3-(4-fluoropiperidin-4-yl)phenyl]propan-2-amine

1-[3-(4-fluoropiperidin-4-yl)phenyl]propan-2-amine (PubChem CID 84727421) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[3-(4-fluoropiperidin-4-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(4-fluoropiperidin-4-yl)phenyl]propan-2-amine
PubChem CID84727421
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-[3-(4-fluoropiperidin-4-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(C2(F)CCNCC2)c1
InChIInChI=1S/C14H21FN2/c1-11(16)9-12-3-2-4-13(10-12)14(15)5-7-17-8-6-14/h2-4,10-11,17H,5-9,16H2,1H3
InChIKeyVCINHLQJNRIZOV-UHFFFAOYSA-N
XLogP2.12
TPSA38.05 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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluoropiperidin-4-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[3-(4-fluoropiperidin-4-yl)phenyl]propan-2-amine (CID 84727421) is 1-[3-(4-fluoropiperidin-4-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-(4-fluoropiperidin-4-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-(4-fluoropiperidin-4-yl)phenyl]propan-2-amine is CC(N)Cc1cccc(C2(F)CCNCC2)c1.
What is the InChIKey of 1-[3-(4-fluoropiperidin-4-yl)phenyl]propan-2-amine?
The InChIKey is VCINHLQJNRIZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11(16)9-12-3-2-4-13(10-12)14(15)5-7-17-8-6-14/h2-4,10-11,17H,5-9,16H2,1H3.
What are the key properties of 1-[3-(4-fluoropiperidin-4-yl)phenyl]propan-2-amine?
1-[3-(4-fluoropiperidin-4-yl)phenyl]propan-2-amine has a molecular weight of 236.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluoropiperidin-4-yl)phenyl]propan-2-amine is sourced from PubChem (CID 84727421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).