1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-fluoropiperidine

C12H22FNO — CID 170601560

IUPAC1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-fluoropiperidine
SMILESCCOCC1(CN2CCC(F)CC2)CC1
InChIInChI=1S/C12H22FNO/c1-2-15-10-12(5-6-12)9-14-7-3-11(13)4-8-14/h11H,2-10H2,1H3
InChIKeyPZFOPACGGCODOG-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.24
Rot. Bonds5

About 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-fluoropiperidine

1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-fluoropiperidine (PubChem CID 170601560) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-fluoropiperidine.

Molecular Properties

Compound Name1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-fluoropiperidine
PubChem CID170601560
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-fluoropiperidine
SMILESCCOCC1(CN2CCC(F)CC2)CC1
InChIInChI=1S/C12H22FNO/c1-2-15-10-12(5-6-12)9-14-7-3-11(13)4-8-14/h11H,2-10H2,1H3
InChIKeyPZFOPACGGCODOG-UHFFFAOYSA-N
XLogP2.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Dimethylbutyl 3-piperidinopropyl ether
CID 9794557
4-(Ethoxymethyl)-1-(3-fluoropropyl)-4-methylpiperidine
CID 68275061
4-(Ethoxymethyl)-4-fluoro-1-methylpiperidine
CID 68275293
4-[(2,2-Difluoro-1-methylcyclopropyl)methoxy]-1-methylpiperidine
CID 129290451
1-(3,3-Dimethylbutyl)-4-(1-fluoroethoxy)piperidine
CID 134271501
1-(4,4-Dimethylpentyl)-4-(1-fluoroethoxy)piperidine
CID 134271526
1-(3-Ethoxypropyl)-4-fluoropiperidine
CID 146393734
4-Methoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine
CID 147253901
1-(3-Ethoxypropyl)-4-fluoro-4-methylpiperidine
CID 147932437
1-(3-Butoxypropyl)-4-fluoro-4-methylpiperidine
CID 155353287
4-Fluoro-1-(3-methoxypropyl)-4-methylpiperidine
CID 155353299
4-(Ethoxymethyl)-4-fluoro-1-propylpiperidine
CID 156885484

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-fluoropiperidine?
The IUPAC name of 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-fluoropiperidine (CID 170601560) is 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-fluoropiperidine.
What is the SMILES notation for 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-fluoropiperidine?
The canonical SMILES for 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-fluoropiperidine is CCOCC1(CN2CCC(F)CC2)CC1.
What is the InChIKey of 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-fluoropiperidine?
The InChIKey is PZFOPACGGCODOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-2-15-10-12(5-6-12)9-14-7-3-11(13)4-8-14/h11H,2-10H2,1H3.
What are the key properties of 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-fluoropiperidine?
1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-fluoropiperidine has a molecular weight of 215.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-fluoropiperidine is sourced from PubChem (CID 170601560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).