ethane;1-(1-fluoroethyl)piperidine

C9H20FN — CID 162429283

IUPACethane;1-(1-fluoroethyl)piperidine
SMILESCC.CC(F)N1CCCCC1
InChIInChI=1S/C7H14FN.C2H6/c1-7(8)9-5-3-2-4-6-9;1-2/h7H,2-6H2,1H3;1-2H3
InChIKeySMQDZCAHEKESRW-UHFFFAOYSA-N
MW161.26 g/mol
LogP2.81
Rot. Bonds1

About ethane;1-(1-fluoroethyl)piperidine

ethane;1-(1-fluoroethyl)piperidine (PubChem CID 162429283) has the molecular formula C9H20FN and a molecular weight of 161.26 g/mol. Its IUPAC name is ethane;1-(1-fluoroethyl)piperidine.

Molecular Properties

Compound Nameethane;1-(1-fluoroethyl)piperidine
PubChem CID162429283
Molecular FormulaC9H20FN
Molecular Weight161.26 g/mol
Exact Mass161.16
IUPAC Nameethane;1-(1-fluoroethyl)piperidine
SMILESCC.CC(F)N1CCCCC1
InChIInChI=1S/C7H14FN.C2H6/c1-7(8)9-5-3-2-4-6-9;1-2/h7H,2-6H2,1H3;1-2H3
InChIKeySMQDZCAHEKESRW-UHFFFAOYSA-N
XLogP2.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.26
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
fluoroform;1-propan-2-ylpyrrolidine
CID 169177583
ethane;1-propan-2-ylpyrrolidine
CID 167557798
ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 167622043
1-propan-2-ylpiperidine;hydrobromide
CID 44887258
1-(1-fluoropropyl)piperidine
CID 68907718
ethane;1-methylazepane;1-propan-2-ylpiperidine
CID 170601993
1-(2-deuteriopropan-2-yl)piperidine
CID 141005811
1-(4-piperidin-1-ylpentan-2-yl)piperidine
CID 174442116
(1S)-1-piperidin-1-ylethanol
CID 86312531
ethene;1-propan-2-ylpiperidine
CID 177325228
ethane;1-(3-methylbutan-2-yl)pyrrolidine
CID 178106115

Frequently Asked Questions

What is the IUPAC name of ethane;1-(1-fluoroethyl)piperidine?
The IUPAC name of ethane;1-(1-fluoroethyl)piperidine (CID 162429283) is ethane;1-(1-fluoroethyl)piperidine.
What is the SMILES notation for ethane;1-(1-fluoroethyl)piperidine?
The canonical SMILES for ethane;1-(1-fluoroethyl)piperidine is CC.CC(F)N1CCCCC1.
What is the InChIKey of ethane;1-(1-fluoroethyl)piperidine?
The InChIKey is SMQDZCAHEKESRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN.C2H6/c1-7(8)9-5-3-2-4-6-9;1-2/h7H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;1-(1-fluoroethyl)piperidine?
ethane;1-(1-fluoroethyl)piperidine has a molecular weight of 161.26 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1-fluoroethyl)piperidine is sourced from PubChem (CID 162429283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).