4-fluoro-1-[(1R)-3,3,4-trimethylcyclohexyl]piperidine

C14H26FN — CID 71188359

IUPAC4-fluoro-1-[(1R)-3,3,4-trimethylcyclohexyl]piperidine
SMILESCC1CC[C@@H](N2CCC(F)CC2)CC1(C)C
InChIInChI=1S/C14H26FN/c1-11-4-5-13(10-14(11,2)3)16-8-6-12(15)7-9-16/h11-13H,4-10H2,1-3H3/t11?,13-/m1/s1
InChIKeyJDQOYWTYRNFXSE-GLGOKHISSA-N
MW227.37 g/mol
LogP3.64
Rot. Bonds1

About 4-fluoro-1-[(1R)-3,3,4-trimethylcyclohexyl]piperidine

4-fluoro-1-[(1R)-3,3,4-trimethylcyclohexyl]piperidine (PubChem CID 71188359) has the molecular formula C14H26FN and a molecular weight of 227.37 g/mol. Its IUPAC name is 4-fluoro-1-[(1R)-3,3,4-trimethylcyclohexyl]piperidine.

Molecular Properties

Compound Name4-fluoro-1-[(1R)-3,3,4-trimethylcyclohexyl]piperidine
PubChem CID71188359
Molecular FormulaC14H26FN
Molecular Weight227.37 g/mol
Exact Mass227.20
IUPAC Name4-fluoro-1-[(1R)-3,3,4-trimethylcyclohexyl]piperidine
SMILESCC1CC[C@@H](N2CCC(F)CC2)CC1(C)C
InChIInChI=1S/C14H26FN/c1-11-4-5-13(10-14(11,2)3)16-8-6-12(15)7-9-16/h11-13H,4-10H2,1-3H3/t11?,13-/m1/s1
InChIKeyJDQOYWTYRNFXSE-GLGOKHISSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[(1R)-3,3,4-trimethylcyclohexyl]piperidine?
The IUPAC name of 4-fluoro-1-[(1R)-3,3,4-trimethylcyclohexyl]piperidine (CID 71188359) is 4-fluoro-1-[(1R)-3,3,4-trimethylcyclohexyl]piperidine.
What is the SMILES notation for 4-fluoro-1-[(1R)-3,3,4-trimethylcyclohexyl]piperidine?
The canonical SMILES for 4-fluoro-1-[(1R)-3,3,4-trimethylcyclohexyl]piperidine is CC1CC[C@@H](N2CCC(F)CC2)CC1(C)C.
What is the InChIKey of 4-fluoro-1-[(1R)-3,3,4-trimethylcyclohexyl]piperidine?
The InChIKey is JDQOYWTYRNFXSE-GLGOKHISSA-N. The full InChI is InChI=1S/C14H26FN/c1-11-4-5-13(10-14(11,2)3)16-8-6-12(15)7-9-16/h11-13H,4-10H2,1-3H3/t11?,13-/m1/s1.
What are the key properties of 4-fluoro-1-[(1R)-3,3,4-trimethylcyclohexyl]piperidine?
4-fluoro-1-[(1R)-3,3,4-trimethylcyclohexyl]piperidine has a molecular weight of 227.37 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[(1R)-3,3,4-trimethylcyclohexyl]piperidine is sourced from PubChem (CID 71188359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).