ethane;3-fluoro-1-methyl-4-propan-2-ylpiperidine

C11H24FN — CID 177155848

IUPACethane;3-fluoro-1-methyl-4-propan-2-ylpiperidine
SMILESCC.CC(C)C1CCN(C)CC1F
InChIInChI=1S/C9H18FN.C2H6/c1-7(2)8-4-5-11(3)6-9(8)10;1-2/h7-9H,4-6H2,1-3H3;1-2H3
InChIKeyQFQKGTMSVGZNCM-UHFFFAOYSA-N
MW189.32 g/mol
LogP2.96
Rot. Bonds1

About ethane;3-fluoro-1-methyl-4-propan-2-ylpiperidine

ethane;3-fluoro-1-methyl-4-propan-2-ylpiperidine (PubChem CID 177155848) has the molecular formula C11H24FN and a molecular weight of 189.32 g/mol. Its IUPAC name is ethane;3-fluoro-1-methyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Nameethane;3-fluoro-1-methyl-4-propan-2-ylpiperidine
PubChem CID177155848
Molecular FormulaC11H24FN
Molecular Weight189.32 g/mol
Exact Mass189.19
IUPAC Nameethane;3-fluoro-1-methyl-4-propan-2-ylpiperidine
SMILESCC.CC(C)C1CCN(C)CC1F
InChIInChI=1S/C9H18FN.C2H6/c1-7(2)8-4-5-11(3)6-9(8)10;1-2/h7-9H,4-6H2,1-3H3;1-2H3
InChIKeyQFQKGTMSVGZNCM-UHFFFAOYSA-N
XLogP2.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine
CID 137457619
(3S,4R)-1-methyl-4-propan-2-ylpiperidin-3-ol
CID 121424108
(3S,4R)-1-tert-butyl-3-fluoro-4-propan-2-ylpiperidine
CID 177072817
(3S,4S)-3-fluoro-1-methyliodanuidyl-4-propan-2-ylpiperidine
CID 176934951
3-fluoro-4-propan-2-ylpiperidine-1-carbonitrile
CID 171505818
1,4-dimethyl-3-propan-2-ylpiperidine
CID 139491712
ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine
CID 176952918
(3S,4R)-3-fluoro-1-methyl-N-propan-2-ylpiperidin-4-amine
CID 171638746
ethane;fluoromethane;3-fluoro-1-methylpyrrolidine
CID 177157428
(3S)-3-fluoro-4-iodo-1-methylpiperidine
CID 167016263
cis-(1S,2S)-1-fluoro-2-propan-2-ylcyclobutane
CID 153486218
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-1-methyl-4-propan-2-ylpiperidine?
The IUPAC name of ethane;3-fluoro-1-methyl-4-propan-2-ylpiperidine (CID 177155848) is ethane;3-fluoro-1-methyl-4-propan-2-ylpiperidine.
What is the SMILES notation for ethane;3-fluoro-1-methyl-4-propan-2-ylpiperidine?
The canonical SMILES for ethane;3-fluoro-1-methyl-4-propan-2-ylpiperidine is CC.CC(C)C1CCN(C)CC1F.
What is the InChIKey of ethane;3-fluoro-1-methyl-4-propan-2-ylpiperidine?
The InChIKey is QFQKGTMSVGZNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN.C2H6/c1-7(2)8-4-5-11(3)6-9(8)10;1-2/h7-9H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;3-fluoro-1-methyl-4-propan-2-ylpiperidine?
ethane;3-fluoro-1-methyl-4-propan-2-ylpiperidine has a molecular weight of 189.32 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-1-methyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 177155848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).