(3R,5S)-1-tert-butyl-5-fluoropiperidin-3-amine

C9H19FN2 — CID 67033551

IUPAC(3R,5S)-1-tert-butyl-5-fluoropiperidin-3-amine
SMILESCC(C)(C)N1C[C@H](N)C[C@H](F)C1
InChIInChI=1S/C9H19FN2/c1-9(2,3)12-5-7(10)4-8(11)6-12/h7-8H,4-6,11H2,1-3H3/t7-,8+/m0/s1
InChIKeyQDYRIDPLBXOOPL-JGVFFNPUSA-N
MW174.26 g/mol
LogP1.16
Rot. Bonds

About (3R,5S)-1-tert-butyl-5-fluoropiperidin-3-amine

(3R,5S)-1-tert-butyl-5-fluoropiperidin-3-amine (PubChem CID 67033551) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is (3R,5S)-1-tert-butyl-5-fluoropiperidin-3-amine.

Molecular Properties

Compound Name(3R,5S)-1-tert-butyl-5-fluoropiperidin-3-amine
PubChem CID67033551
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name(3R,5S)-1-tert-butyl-5-fluoropiperidin-3-amine
SMILESCC(C)(C)N1C[C@H](N)C[C@H](F)C1
InChIInChI=1S/C9H19FN2/c1-9(2,3)12-5-7(10)4-8(11)6-12/h7-8H,4-6,11H2,1-3H3/t7-,8+/m0/s1
InChIKeyQDYRIDPLBXOOPL-JGVFFNPUSA-N
XLogP1.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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 (3R,5S)-1-tert-butyl-5-fluoropiperidin-3-amine?
The IUPAC name of (3R,5S)-1-tert-butyl-5-fluoropiperidin-3-amine (CID 67033551) is (3R,5S)-1-tert-butyl-5-fluoropiperidin-3-amine.
What is the SMILES notation for (3R,5S)-1-tert-butyl-5-fluoropiperidin-3-amine?
The canonical SMILES for (3R,5S)-1-tert-butyl-5-fluoropiperidin-3-amine is CC(C)(C)N1C[C@H](N)C[C@H](F)C1.
What is the InChIKey of (3R,5S)-1-tert-butyl-5-fluoropiperidin-3-amine?
The InChIKey is QDYRIDPLBXOOPL-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H19FN2/c1-9(2,3)12-5-7(10)4-8(11)6-12/h7-8H,4-6,11H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of (3R,5S)-1-tert-butyl-5-fluoropiperidin-3-amine?
(3R,5S)-1-tert-butyl-5-fluoropiperidin-3-amine has a molecular weight of 174.26 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-tert-butyl-5-fluoropiperidin-3-amine is sourced from PubChem (CID 67033551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).