4-fluoro-4-methyl-3-propylpiperidine

C9H18FN — CID 84716694

IUPAC4-fluoro-4-methyl-3-propylpiperidine
SMILESCCCC1CNCCC1(C)F
InChIInChI=1S/C9H18FN/c1-3-4-8-7-11-6-5-9(8,2)10/h8,11H,3-7H2,1-2H3
InChIKeySLXOXKIABVDSEW-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.12
Rot. Bonds2

About 4-fluoro-4-methyl-3-propylpiperidine

4-fluoro-4-methyl-3-propylpiperidine (PubChem CID 84716694) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 4-fluoro-4-methyl-3-propylpiperidine.

Molecular Properties

Compound Name4-fluoro-4-methyl-3-propylpiperidine
PubChem CID84716694
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name4-fluoro-4-methyl-3-propylpiperidine
SMILESCCCC1CNCCC1(C)F
InChIInChI=1S/C9H18FN/c1-3-4-8-7-11-6-5-9(8,2)10/h8,11H,3-7H2,1-2H3
InChIKeySLXOXKIABVDSEW-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-4-fluoro-4-methylpiperidine
CID 84716301
4-(methoxymethyl)-4-methyl-3-propylpiperidine
CID 79321116
4-methyl-4-pentyl-3-propylpiperidine
CID 80560245
4,4-difluoro-5-propylazepane
CID 84656071
(3S,4S)-3,4-difluoro-4-methylpiperidine
CID 125117149
6-propyl-2-oxa-8-azaspiro[4.5]decane
CID 79321500
8,11-dimethyl-5-propyl-3-azaspiro[5.5]undecane
CID 79320130
3-ethyl-4-methyl-4-propylpiperidine
CID 79321517
8-methyl-3'-propylspiro[8-azabicyclo[3.2.1]octane-3,4'-piperidine]
CID 79321115
3'-propylspiro[1,3-dihydroindene-2,4'-piperidine]
CID 79320324
9-propan-2-yl-5-propyl-3-azaspiro[5.6]dodecane
CID 79321593
11-propyl-2λ6-thia-9-azaspiro[5.5]undecane 2,2-dioxide
CID 79320236

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methyl-3-propylpiperidine?
The IUPAC name of 4-fluoro-4-methyl-3-propylpiperidine (CID 84716694) is 4-fluoro-4-methyl-3-propylpiperidine.
What is the SMILES notation for 4-fluoro-4-methyl-3-propylpiperidine?
The canonical SMILES for 4-fluoro-4-methyl-3-propylpiperidine is CCCC1CNCCC1(C)F.
What is the InChIKey of 4-fluoro-4-methyl-3-propylpiperidine?
The InChIKey is SLXOXKIABVDSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-3-4-8-7-11-6-5-9(8,2)10/h8,11H,3-7H2,1-2H3.
What are the key properties of 4-fluoro-4-methyl-3-propylpiperidine?
4-fluoro-4-methyl-3-propylpiperidine has a molecular weight of 159.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methyl-3-propylpiperidine is sourced from PubChem (CID 84716694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).