3,3-dimethyl-4-(3,3,3-trifluoropropyl)piperidine

C10H18F3N — CID 130531947

IUPAC3,3-dimethyl-4-(3,3,3-trifluoropropyl)piperidine
SMILESCC1(C)CNCCC1CCC(F)(F)F
InChIInChI=1S/C10H18F3N/c1-9(2)7-14-6-4-8(9)3-5-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyLZWLOWAVLUBAJE-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.96
Rot. Bonds2

About 3,3-dimethyl-4-(3,3,3-trifluoropropyl)piperidine

3,3-dimethyl-4-(3,3,3-trifluoropropyl)piperidine (PubChem CID 130531947) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is 3,3-dimethyl-4-(3,3,3-trifluoropropyl)piperidine.

Molecular Properties

Compound Name3,3-dimethyl-4-(3,3,3-trifluoropropyl)piperidine
PubChem CID130531947
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name3,3-dimethyl-4-(3,3,3-trifluoropropyl)piperidine
SMILESCC1(C)CNCCC1CCC(F)(F)F
InChIInChI=1S/C10H18F3N/c1-9(2)7-14-6-4-8(9)3-5-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyLZWLOWAVLUBAJE-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-4-(trifluoromethyl)piperidine
CID 86775311
tert-butyl N-[2-(3,3-dimethylpiperidin-4-yl)ethyl]carbamate
CID 84805349
3,3-difluoro-4-propylpiperidine
CID 84651633
ethyl 2-(3,3-dimethylpiperidin-4-yl)acetate;hydrochloride
CID 132992939
1-(3,3-dimethylpiperidin-4-yl)oxy-2-methylpropan-2-ol
CID 130533511
4-(4-fluorophenyl)-3,3-dimethylpiperidine;pentakis(yttrium)
CID 159623116
N-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 64567145
3-methyl-3-(3,3,3-trifluoropropoxy)piperidine
CID 107385578
9-ethyl-6-azaspiro[3.5]nonane
CID 168959598
3,3-difluoro-4-(2-methylpropyl)piperidine;ethane
CID 160527245
3-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine
CID 178127838
1-tert-butyl-4-(3,3-dimethylpiperidin-4-yl)piperazine
CID 114235704

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(3,3,3-trifluoropropyl)piperidine?
The IUPAC name of 3,3-dimethyl-4-(3,3,3-trifluoropropyl)piperidine (CID 130531947) is 3,3-dimethyl-4-(3,3,3-trifluoropropyl)piperidine.
What is the SMILES notation for 3,3-dimethyl-4-(3,3,3-trifluoropropyl)piperidine?
The canonical SMILES for 3,3-dimethyl-4-(3,3,3-trifluoropropyl)piperidine is CC1(C)CNCCC1CCC(F)(F)F.
What is the InChIKey of 3,3-dimethyl-4-(3,3,3-trifluoropropyl)piperidine?
The InChIKey is LZWLOWAVLUBAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-9(2)7-14-6-4-8(9)3-5-10(11,12)13/h8,14H,3-7H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-(3,3,3-trifluoropropyl)piperidine?
3,3-dimethyl-4-(3,3,3-trifluoropropyl)piperidine has a molecular weight of 209.25 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(3,3,3-trifluoropropyl)piperidine is sourced from PubChem (CID 130531947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).