4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine

C13H24FNO — CID 170412689

IUPAC4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
SMILESCC(C)OCC1(CN2CCC(F)CC2)CC1
InChIInChI=1S/C13H24FNO/c1-11(2)16-10-13(5-6-13)9-15-7-3-12(14)4-8-15/h11-12H,3-10H2,1-2H3
InChIKeySAPLUXNHISJMLB-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.63
Rot. Bonds5

About 4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine

4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine (PubChem CID 170412689) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine.

Molecular Properties

Compound Name4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
PubChem CID170412689
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
SMILESCC(C)OCC1(CN2CCC(F)CC2)CC1
InChIInChI=1S/C13H24FNO/c1-11(2)16-10-13(5-6-13)9-15-7-3-12(14)4-8-15/h11-12H,3-10H2,1-2H3
InChIKeySAPLUXNHISJMLB-UHFFFAOYSA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-Dimethylbutyl)-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 75396291
1-Methyl-4-(4,4,4-trifluorobutoxy)piperidine
CID 18722979
4-Fluoro-1-(2-fluoroethyl)-4-(propan-2-yloxymethyl)piperidine
CID 58303633
1-Ethyl-4-fluoro-4-(propan-2-yloxymethyl)piperidine
CID 58303663
1-(3-Fluoropropyl)-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 58364950
3-Fluoro-1-methyl-4-propan-2-yloxypiperidine
CID 59176306
(3S,4R)-4-ethoxy-3-fluoro-1-methylpiperidine
CID 89026079
(3S,4S)-4-ethoxy-3-fluoro-1-methylpiperidine
CID 89026086
(3S)-4-ethoxy-3-fluoro-1-methylpiperidine
CID 90291537
1-Ethyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 117970577
1-(2-Fluoroethyl)-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 118688852
4-Butoxy-3-fluoro-1-methylpiperidine
CID 122536983

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
The IUPAC name of 4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine (CID 170412689) is 4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine.
What is the SMILES notation for 4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
The canonical SMILES for 4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine is CC(C)OCC1(CN2CCC(F)CC2)CC1.
What is the InChIKey of 4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
The InChIKey is SAPLUXNHISJMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO/c1-11(2)16-10-13(5-6-13)9-15-7-3-12(14)4-8-15/h11-12H,3-10H2,1-2H3.
What are the key properties of 4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine has a molecular weight of 229.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine is sourced from PubChem (CID 170412689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).