(3R,4R)-1-cyclohexa-2,4-dien-1-yl-4-fluoropiperidin-3-amine

C11H17FN2 — CID 175959386

IUPAC(3R,4R)-1-cyclohexa-2,4-dien-1-yl-4-fluoropiperidin-3-amine
SMILESN[C@@H]1CN(C2C=CC=CC2)CC[C@H]1F
InChIInChI=1S/C11H17FN2/c12-10-6-7-14(8-11(10)13)9-4-2-1-3-5-9/h1-4,9-11H,5-8,13H2/t9?,10-,11-/m1/s1
InChIKeyCTHMLMFDHGTEKY-FHZGLPGMSA-N
MW196.27 g/mol
LogP1.24
Rot. Bonds1

About (3R,4R)-1-cyclohexa-2,4-dien-1-yl-4-fluoropiperidin-3-amine

(3R,4R)-1-cyclohexa-2,4-dien-1-yl-4-fluoropiperidin-3-amine (PubChem CID 175959386) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is (3R,4R)-1-cyclohexa-2,4-dien-1-yl-4-fluoropiperidin-3-amine.

Molecular Properties

Compound Name(3R,4R)-1-cyclohexa-2,4-dien-1-yl-4-fluoropiperidin-3-amine
PubChem CID175959386
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name(3R,4R)-1-cyclohexa-2,4-dien-1-yl-4-fluoropiperidin-3-amine
SMILESN[C@@H]1CN(C2C=CC=CC2)CC[C@H]1F
InChIInChI=1S/C11H17FN2/c12-10-6-7-14(8-11(10)13)9-4-2-1-3-5-9/h1-4,9-11H,5-8,13H2/t9?,10-,11-/m1/s1
InChIKeyCTHMLMFDHGTEKY-FHZGLPGMSA-N
XLogP1.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-cyclohexa-2,4-dien-1-yl-4-fluoropiperidin-3-amine?
The IUPAC name of (3R,4R)-1-cyclohexa-2,4-dien-1-yl-4-fluoropiperidin-3-amine (CID 175959386) is (3R,4R)-1-cyclohexa-2,4-dien-1-yl-4-fluoropiperidin-3-amine.
What is the SMILES notation for (3R,4R)-1-cyclohexa-2,4-dien-1-yl-4-fluoropiperidin-3-amine?
The canonical SMILES for (3R,4R)-1-cyclohexa-2,4-dien-1-yl-4-fluoropiperidin-3-amine is N[C@@H]1CN(C2C=CC=CC2)CC[C@H]1F.
What is the InChIKey of (3R,4R)-1-cyclohexa-2,4-dien-1-yl-4-fluoropiperidin-3-amine?
The InChIKey is CTHMLMFDHGTEKY-FHZGLPGMSA-N. The full InChI is InChI=1S/C11H17FN2/c12-10-6-7-14(8-11(10)13)9-4-2-1-3-5-9/h1-4,9-11H,5-8,13H2/t9?,10-,11-/m1/s1.
What are the key properties of (3R,4R)-1-cyclohexa-2,4-dien-1-yl-4-fluoropiperidin-3-amine?
(3R,4R)-1-cyclohexa-2,4-dien-1-yl-4-fluoropiperidin-3-amine has a molecular weight of 196.27 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-cyclohexa-2,4-dien-1-yl-4-fluoropiperidin-3-amine is sourced from PubChem (CID 175959386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).