4-[(3,5-dimethylcyclohexyl)-fluoromethyl]piperidine

C14H26FN — CID 112563900

IUPAC4-[(3,5-dimethylcyclohexyl)-fluoromethyl]piperidine
SMILESCC1CC(C)CC(C(F)C2CCNCC2)C1
InChIInChI=1S/C14H26FN/c1-10-7-11(2)9-13(8-10)14(15)12-3-5-16-6-4-12/h10-14,16H,3-9H2,1-2H3
InChIKeyMWVFXYYKNXMADN-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.40
Rot. Bonds2

About 4-[(3,5-dimethylcyclohexyl)-fluoromethyl]piperidine

4-[(3,5-dimethylcyclohexyl)-fluoromethyl]piperidine (PubChem CID 112563900) has the molecular formula C14H26FN and a molecular weight of 227.37 g/mol. Its IUPAC name is 4-[(3,5-dimethylcyclohexyl)-fluoromethyl]piperidine.

Molecular Properties

Compound Name4-[(3,5-dimethylcyclohexyl)-fluoromethyl]piperidine
PubChem CID112563900
Molecular FormulaC14H26FN
Molecular Weight227.37 g/mol
Exact Mass227.20
IUPAC Name4-[(3,5-dimethylcyclohexyl)-fluoromethyl]piperidine
SMILESCC1CC(C)CC(C(F)C2CCNCC2)C1
InChIInChI=1S/C14H26FN/c1-10-7-11(2)9-13(8-10)14(15)12-3-5-16-6-4-12/h10-14,16H,3-9H2,1-2H3
InChIKeyMWVFXYYKNXMADN-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(1R)-1-fluoroethyl]piperidine
CID 124547551
(3-methylcyclohexyl)-piperidin-4-ylmethanol
CID 80560388
4-(1-fluoro-2-methylbutyl)piperidine
CID 112563763
4-[(1S)-1-fluoropropyl]piperidine
CID 124547570
(4-methylcyclohexyl)-piperidin-4-ylmethanol
CID 80560052
1-fluoro-1-piperidin-4-ylpropan-2-amine
CID 105431459
4-(1-fluoroethyl)azepane
CID 105428868
4-[(1R)-1-methoxyethyl]piperidine
CID 95732416
4-(1-fluorobut-2-ynyl)piperidine
CID 130515854
4-(1-fluoro-4-methylpentyl)piperidine
CID 112563624
ethene;4-methylpiperidine
CID 143316942
cyclopentane;4-methylpiperidine
CID 143138909

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylcyclohexyl)-fluoromethyl]piperidine?
The IUPAC name of 4-[(3,5-dimethylcyclohexyl)-fluoromethyl]piperidine (CID 112563900) is 4-[(3,5-dimethylcyclohexyl)-fluoromethyl]piperidine.
What is the SMILES notation for 4-[(3,5-dimethylcyclohexyl)-fluoromethyl]piperidine?
The canonical SMILES for 4-[(3,5-dimethylcyclohexyl)-fluoromethyl]piperidine is CC1CC(C)CC(C(F)C2CCNCC2)C1.
What is the InChIKey of 4-[(3,5-dimethylcyclohexyl)-fluoromethyl]piperidine?
The InChIKey is MWVFXYYKNXMADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FN/c1-10-7-11(2)9-13(8-10)14(15)12-3-5-16-6-4-12/h10-14,16H,3-9H2,1-2H3.
What are the key properties of 4-[(3,5-dimethylcyclohexyl)-fluoromethyl]piperidine?
4-[(3,5-dimethylcyclohexyl)-fluoromethyl]piperidine has a molecular weight of 227.37 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylcyclohexyl)-fluoromethyl]piperidine is sourced from PubChem (CID 112563900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).