4-fluoro-1-[(1S)-3,3,4-trimethylcyclohexyl]piperidine;propane

C17H34FN — CID 159846616

IUPAC4-fluoro-1-[(1S)-3,3,4-trimethylcyclohexyl]piperidine;propane
SMILESCC1CC[C@H](N2CCC(F)CC2)CC1(C)C.CCC
InChIInChI=1S/C14H26FN.C3H8/c1-11-4-5-13(10-14(11,2)3)16-8-6-12(15)7-9-16;1-3-2/h11-13H,4-10H2,1-3H3;3H2,1-2H3/t11?,13-;/m0./s1
InChIKeyNPJURSYTXIHXOT-IYWIJXFJSA-N
MW271.46 g/mol
LogP5.05
Rot. Bonds1

About 4-fluoro-1-[(1S)-3,3,4-trimethylcyclohexyl]piperidine;propane

4-fluoro-1-[(1S)-3,3,4-trimethylcyclohexyl]piperidine;propane (PubChem CID 159846616) has the molecular formula C17H34FN and a molecular weight of 271.46 g/mol. Its IUPAC name is 4-fluoro-1-[(1S)-3,3,4-trimethylcyclohexyl]piperidine;propane.

Molecular Properties

Compound Name4-fluoro-1-[(1S)-3,3,4-trimethylcyclohexyl]piperidine;propane
PubChem CID159846616
Molecular FormulaC17H34FN
Molecular Weight271.46 g/mol
Exact Mass271.27
IUPAC Name4-fluoro-1-[(1S)-3,3,4-trimethylcyclohexyl]piperidine;propane
SMILESCC1CC[C@H](N2CCC(F)CC2)CC1(C)C.CCC
InChIInChI=1S/C14H26FN.C3H8/c1-11-4-5-13(10-14(11,2)3)16-8-6-12(15)7-9-16;1-3-2/h11-13H,4-10H2,1-3H3;3H2,1-2H3/t11?,13-;/m0./s1
InChIKeyNPJURSYTXIHXOT-IYWIJXFJSA-N
XLogP5.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.46
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane
CID 161450829
3,3-dimethyl-1-[(1R,4S)-3,3,4-trimethylcyclohexyl]piperidine;propane
CID 160999736
1-cyclopropyl-4-fluoropiperidine
CID 154325828
3,3-dimethyl-1-(3,3,4-trimethylcyclohexyl)piperidine;ethane
CID 143483566
1-[(1R,4S)-4-tert-butyl-3,3-dimethylcyclohexyl]-4-methylpiperidine
CID 70971558
4-fluoro-1-(4-propan-2-ylcyclohexyl)piperidine
CID 58386347
4-fluoro-1-(1-methylpiperidin-4-yl)piperidine
CID 90227733
4-fluoro-1-(3-methoxycyclobutyl)piperidine
CID 167217869
(4R)-1-cyclobutyl-3,3,4-trimethylpiperidine
CID 171846999
(4R)-1-cyclobutyl-3,3,4-trimethylpiperidine;hydrate
CID 171846998
7-ethyl-2,2-dimethyl-7-azabicyclo[2.2.1]heptane
CID 130224209
[1-(4-cyclopropylpiperazin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106663047

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[(1S)-3,3,4-trimethylcyclohexyl]piperidine;propane?
The IUPAC name of 4-fluoro-1-[(1S)-3,3,4-trimethylcyclohexyl]piperidine;propane (CID 159846616) is 4-fluoro-1-[(1S)-3,3,4-trimethylcyclohexyl]piperidine;propane.
What is the SMILES notation for 4-fluoro-1-[(1S)-3,3,4-trimethylcyclohexyl]piperidine;propane?
The canonical SMILES for 4-fluoro-1-[(1S)-3,3,4-trimethylcyclohexyl]piperidine;propane is CC1CC[C@H](N2CCC(F)CC2)CC1(C)C.CCC.
What is the InChIKey of 4-fluoro-1-[(1S)-3,3,4-trimethylcyclohexyl]piperidine;propane?
The InChIKey is NPJURSYTXIHXOT-IYWIJXFJSA-N. The full InChI is InChI=1S/C14H26FN.C3H8/c1-11-4-5-13(10-14(11,2)3)16-8-6-12(15)7-9-16;1-3-2/h11-13H,4-10H2,1-3H3;3H2,1-2H3/t11?,13-;/m0./s1.
What are the key properties of 4-fluoro-1-[(1S)-3,3,4-trimethylcyclohexyl]piperidine;propane?
4-fluoro-1-[(1S)-3,3,4-trimethylcyclohexyl]piperidine;propane has a molecular weight of 271.46 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[(1S)-3,3,4-trimethylcyclohexyl]piperidine;propane is sourced from PubChem (CID 159846616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).