3-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]piperidine

C12H20FNO — CID 102648248

IUPAC3-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]piperidine
SMILESCC(F)(C1=CCCCO1)C1CCCNC1
InChIInChI=1S/C12H20FNO/c1-12(13,10-5-4-7-14-9-10)11-6-2-3-8-15-11/h6,10,14H,2-5,7-9H2,1H3
InChIKeyBDVCGOPZQVYFOS-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.41
Rot. Bonds2

About 3-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]piperidine

3-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]piperidine (PubChem CID 102648248) has the molecular formula C12H20FNO and a molecular weight of 213.30 g/mol. Its IUPAC name is 3-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]piperidine.

Molecular Properties

Compound Name3-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]piperidine
PubChem CID102648248
Molecular FormulaC12H20FNO
Molecular Weight213.30 g/mol
Exact Mass213.15
IUPAC Name3-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]piperidine
SMILESCC(F)(C1=CCCCO1)C1CCCNC1
InChIInChI=1S/C12H20FNO/c1-12(13,10-5-4-7-14-9-10)11-6-2-3-8-15-11/h6,10,14H,2-5,7-9H2,1H3
InChIKeyBDVCGOPZQVYFOS-UHFFFAOYSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoropiperidine
CID 102648241
4-(3,4-dihydro-2H-pyran-6-yl)-4-fluoropiperidine
CID 102648242
4-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]piperidine
CID 102648244
3-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]piperidine
CID 102648250
2-[2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoropropyl]piperidine
CID 102648262
3-[1-(2,3-Dihydrofuran-5-yl)-1-fluoroethyl]piperidine
CID 102652371
3-[2,3-Dihydrofuran-5-yl(fluoro)methyl]piperidine
CID 102652373
4-[1-(2,3-Dihydrofuran-5-yl)-1-fluoroethyl]piperidine
CID 130855903
4-[(4R)-4-methylcyclohexen-1-yl]oxypiperidine
CID 68082956
4-[(4R)-4-propan-2-ylcyclohexen-1-yl]oxypiperidine
CID 68083152
4-(1-Ethoxyprop-1-enyl)piperidine
CID 90986736
4-[3-(4-Methoxycyclohexa-1,3-dien-1-yl)oxypropyl]piperidine
CID 139632101

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]piperidine?
The IUPAC name of 3-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]piperidine (CID 102648248) is 3-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]piperidine.
What is the SMILES notation for 3-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]piperidine?
The canonical SMILES for 3-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]piperidine is CC(F)(C1=CCCCO1)C1CCCNC1.
What is the InChIKey of 3-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]piperidine?
The InChIKey is BDVCGOPZQVYFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO/c1-12(13,10-5-4-7-14-9-10)11-6-2-3-8-15-11/h6,10,14H,2-5,7-9H2,1H3.
What are the key properties of 3-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]piperidine?
3-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]piperidine has a molecular weight of 213.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4-dihydro-2H-pyran-6-yl)-1-fluoroethyl]piperidine is sourced from PubChem (CID 102648248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).