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

C10H19F2N — CID 59748001

IUPAC3,3-difluoro-1-(3-methylbutyl)piperidine
SMILESCC(C)CCN1CCCC(F)(F)C1
InChIInChI=1S/C10H19F2N/c1-9(2)4-7-13-6-3-5-10(11,12)8-13/h9H,3-8H2,1-2H3
InChIKeyJGJWDNPEPUMUMN-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.76
Rot. Bonds3

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

3,3-difluoro-1-(3-methylbutyl)piperidine (PubChem CID 59748001) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is 3,3-difluoro-1-(3-methylbutyl)piperidine.

Molecular Properties

Compound Name3,3-difluoro-1-(3-methylbutyl)piperidine
PubChem CID59748001
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name3,3-difluoro-1-(3-methylbutyl)piperidine
SMILESCC(C)CCN1CCCC(F)(F)C1
InChIInChI=1S/C10H19F2N/c1-9(2)4-7-13-6-3-5-10(11,12)8-13/h9H,3-8H2,1-2H3
InChIKeyJGJWDNPEPUMUMN-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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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(3-methylbutyl)piperidine?
The IUPAC name of 3,3-difluoro-1-(3-methylbutyl)piperidine (CID 59748001) is 3,3-difluoro-1-(3-methylbutyl)piperidine.
What is the SMILES notation for 3,3-difluoro-1-(3-methylbutyl)piperidine?
The canonical SMILES for 3,3-difluoro-1-(3-methylbutyl)piperidine is CC(C)CCN1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(3-methylbutyl)piperidine?
The InChIKey is JGJWDNPEPUMUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-9(2)4-7-13-6-3-5-10(11,12)8-13/h9H,3-8H2,1-2H3.
What are the key properties of 3,3-difluoro-1-(3-methylbutyl)piperidine?
3,3-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 3,3-difluoro-1-(3-methylbutyl)piperidine is sourced from PubChem (CID 59748001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).