1-(3-fluoropropyl)-4,4-dimethylpiperidine

C10H20FN — CID 126991477

IUPAC1-(3-fluoropropyl)-4,4-dimethylpiperidine
SMILESCC1(C)CCN(CCCF)CC1
InChIInChI=1S/C10H20FN/c1-10(2)4-8-12(9-5-10)7-3-6-11/h3-9H2,1-2H3
InChIKeyXQAKHSLZYFWGEU-UHFFFAOYSA-N
MW173.27 g/mol
LogP2.47
Rot. Bonds3

About 1-(3-fluoropropyl)-4,4-dimethylpiperidine

1-(3-fluoropropyl)-4,4-dimethylpiperidine (PubChem CID 126991477) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-4,4-dimethylpiperidine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-4,4-dimethylpiperidine
PubChem CID126991477
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name1-(3-fluoropropyl)-4,4-dimethylpiperidine
SMILESCC1(C)CCN(CCCF)CC1
InChIInChI=1S/C10H20FN/c1-10(2)4-8-12(9-5-10)7-3-6-11/h3-9H2,1-2H3
InChIKeyXQAKHSLZYFWGEU-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Ethyl-4-methylpiperidine
CID 4178649
1-Butyl-4-methylpiperidine
CID 4104802
1-Propyl-4-methylpiperidine
CID 4100429
1,3,3-Trimethylpiperidine
CID 12413605
Piperidine, 1,3,3,5,5-pentamethyl-
CID 13700390
1,4,4-Trimethylpiperidine
CID 136794
4,4-Dimethyl-1-(prop-2-yn-1-yl)piperidine
CID 18723215
1-Propyl-4-(trifluoromethyl)piperidine
CID 17951327
4-Fluoro-1,4-dimethylpiperidine
CID 18963723
1-(2-Fluoropropyl)piperidine
CID 101432305
4-Tert-butyl-1-ethylpiperidine
CID 287952
Piperidine, 4-(1,1-dimethylethyl)-1-methyl-
CID 435047

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-4,4-dimethylpiperidine?
The IUPAC name of 1-(3-fluoropropyl)-4,4-dimethylpiperidine (CID 126991477) is 1-(3-fluoropropyl)-4,4-dimethylpiperidine.
What is the SMILES notation for 1-(3-fluoropropyl)-4,4-dimethylpiperidine?
The canonical SMILES for 1-(3-fluoropropyl)-4,4-dimethylpiperidine is CC1(C)CCN(CCCF)CC1.
What is the InChIKey of 1-(3-fluoropropyl)-4,4-dimethylpiperidine?
The InChIKey is XQAKHSLZYFWGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-10(2)4-8-12(9-5-10)7-3-6-11/h3-9H2,1-2H3.
What are the key properties of 1-(3-fluoropropyl)-4,4-dimethylpiperidine?
1-(3-fluoropropyl)-4,4-dimethylpiperidine has a molecular weight of 173.27 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-4,4-dimethylpiperidine is sourced from PubChem (CID 126991477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).