1-[3-(trifluoromethoxy)propyl]piperidine

C9H16F3NO — CID 154073929

IUPAC1-[3-(trifluoromethoxy)propyl]piperidine
SMILESFC(F)(F)OCCCN1CCCCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)14-8-4-7-13-5-2-1-3-6-13/h1-8H2
InChIKeyHPKGNNBLNUHBDM-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.40
Rot. Bonds4

About 1-[3-(trifluoromethoxy)propyl]piperidine

1-[3-(trifluoromethoxy)propyl]piperidine (PubChem CID 154073929) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-[3-(trifluoromethoxy)propyl]piperidine.

Molecular Properties

Compound Name1-[3-(trifluoromethoxy)propyl]piperidine
PubChem CID154073929
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1-[3-(trifluoromethoxy)propyl]piperidine
SMILESFC(F)(F)OCCCN1CCCCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)14-8-4-7-13-5-2-1-3-6-13/h1-8H2
InChIKeyHPKGNNBLNUHBDM-UHFFFAOYSA-N
XLogP2.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethoxy)propyl]piperidine?
The IUPAC name of 1-[3-(trifluoromethoxy)propyl]piperidine (CID 154073929) is 1-[3-(trifluoromethoxy)propyl]piperidine.
What is the SMILES notation for 1-[3-(trifluoromethoxy)propyl]piperidine?
The canonical SMILES for 1-[3-(trifluoromethoxy)propyl]piperidine is FC(F)(F)OCCCN1CCCCC1.
What is the InChIKey of 1-[3-(trifluoromethoxy)propyl]piperidine?
The InChIKey is HPKGNNBLNUHBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)14-8-4-7-13-5-2-1-3-6-13/h1-8H2.
What are the key properties of 1-[3-(trifluoromethoxy)propyl]piperidine?
1-[3-(trifluoromethoxy)propyl]piperidine has a molecular weight of 211.23 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethoxy)propyl]piperidine is sourced from PubChem (CID 154073929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).