4,4-difluoro-1-(3-methylbutyl)piperidine

C10H19F2N — CID 20811830

IUPAC4,4-difluoro-1-(3-methylbutyl)piperidine
SMILESCC(C)CCN1CCC(F)(F)CC1
InChIInChI=1S/C10H19F2N/c1-9(2)3-6-13-7-4-10(11,12)5-8-13/h9H,3-8H2,1-2H3
InChIKeyWZFDXZGOCDHCCR-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.76
Rot. Bonds3

About 4,4-difluoro-1-(3-methylbutyl)piperidine

4,4-difluoro-1-(3-methylbutyl)piperidine (PubChem CID 20811830) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is 4,4-difluoro-1-(3-methylbutyl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-(3-methylbutyl)piperidine
PubChem CID20811830
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name4,4-difluoro-1-(3-methylbutyl)piperidine
SMILESCC(C)CCN1CCC(F)(F)CC1
InChIInChI=1S/C10H19F2N/c1-9(2)3-6-13-7-4-10(11,12)5-8-13/h9H,3-8H2,1-2H3
InChIKeyWZFDXZGOCDHCCR-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(aminomethyl)-1-(3-methylbutyl)piperidin-4-ol
CID 82282305
3,3-difluoro-1-(3-methylbutyl)piperidine
CID 59748001
methane;1-(3-methylbutyl)pyrrolidine
CID 143832561
ethane;4-(3-methylbutyl)thiomorpholine
CID 163260458
1-[4-methyl-1-(3-methylbutyl)piperidin-4-yl]ethanone
CID 167711467
4-methyl-1-(3-methylbutyl)piperidine-4-carboxylic acid
CID 55168038
4,4-dimethyl-1-(4-methylpentyl)piperidine;ethane
CID 142891140
1,1-diethylcyclopropane;1-(3,3-difluoropyrrolidin-1-yl)-4-[4-(3-methylbutyl)piperazin-1-yl]butan-2-ol;ethane
CID 171507310
2-(4,4-difluoropiperidin-1-yl)ethanamine
CID 2758354
1-iodo-4-(3-methylbutyl)piperazine
CID 166948884
4-[2-(4,4-difluoropiperidin-1-yl)ethyl]morpholine
CID 117007742
4,4-difluoro-1-heptylpiperidine
CID 138507375

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(3-methylbutyl)piperidine?
The IUPAC name of 4,4-difluoro-1-(3-methylbutyl)piperidine (CID 20811830) is 4,4-difluoro-1-(3-methylbutyl)piperidine.
What is the SMILES notation for 4,4-difluoro-1-(3-methylbutyl)piperidine?
The canonical SMILES for 4,4-difluoro-1-(3-methylbutyl)piperidine is CC(C)CCN1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-(3-methylbutyl)piperidine?
The InChIKey is WZFDXZGOCDHCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-9(2)3-6-13-7-4-10(11,12)5-8-13/h9H,3-8H2,1-2H3.
What are the key properties of 4,4-difluoro-1-(3-methylbutyl)piperidine?
4,4-difluoro-1-(3-methylbutyl)piperidine has a molecular weight of 191.26 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(3-methylbutyl)piperidine is sourced from PubChem (CID 20811830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).