4-(fluoromethyl)-1-propan-2-ylpiperidin-4-amine

C9H19FN2 — CID 115014377

IUPAC4-(fluoromethyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(N)(CF)CC1
InChIInChI=1S/C9H19FN2/c1-8(2)12-5-3-9(11,7-10)4-6-12/h8H,3-7,11H2,1-2H3
InChIKeyJRXOVGFEFORWID-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.16
Rot. Bonds2

About 4-(fluoromethyl)-1-propan-2-ylpiperidin-4-amine

4-(fluoromethyl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 115014377) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name4-(fluoromethyl)-1-propan-2-ylpiperidin-4-amine
PubChem CID115014377
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name4-(fluoromethyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(N)(CF)CC1
InChIInChI=1S/C9H19FN2/c1-8(2)12-5-3-9(11,7-10)4-6-12/h8H,3-7,11H2,1-2H3
InChIKeyJRXOVGFEFORWID-UHFFFAOYSA-N
XLogP1.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of 4-(fluoromethyl)-1-propan-2-ylpiperidin-4-amine (CID 115014377) is 4-(fluoromethyl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 4-(fluoromethyl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 4-(fluoromethyl)-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(N)(CF)CC1.
What is the InChIKey of 4-(fluoromethyl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is JRXOVGFEFORWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c1-8(2)12-5-3-9(11,7-10)4-6-12/h8H,3-7,11H2,1-2H3.
What are the key properties of 4-(fluoromethyl)-1-propan-2-ylpiperidin-4-amine?
4-(fluoromethyl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 174.26 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 115014377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).