4-(difluoromethoxy)-1-propylpiperidine

C9H17F2NO — CID 122485642

IUPAC4-(difluoromethoxy)-1-propylpiperidine
SMILESCCCN1CCC(OC(F)F)CC1
InChIInChI=1S/C9H17F2NO/c1-2-5-12-6-3-8(4-7-12)13-9(10)11/h8-9H,2-7H2,1H3
InChIKeyGCZKNHAQIDLXBZ-UHFFFAOYSA-N
MW193.24 g/mol
LogP2.10
Rot. Bonds4

About 4-(difluoromethoxy)-1-propylpiperidine

4-(difluoromethoxy)-1-propylpiperidine (PubChem CID 122485642) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 4-(difluoromethoxy)-1-propylpiperidine.

Molecular Properties

Compound Name4-(difluoromethoxy)-1-propylpiperidine
PubChem CID122485642
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name4-(difluoromethoxy)-1-propylpiperidine
SMILESCCCN1CCC(OC(F)F)CC1
InChIInChI=1S/C9H17F2NO/c1-2-5-12-6-3-8(4-7-12)13-9(10)11/h8-9H,2-7H2,1H3
InChIKeyGCZKNHAQIDLXBZ-UHFFFAOYSA-N
XLogP2.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-1-propylpiperidine?
The IUPAC name of 4-(difluoromethoxy)-1-propylpiperidine (CID 122485642) is 4-(difluoromethoxy)-1-propylpiperidine.
What is the SMILES notation for 4-(difluoromethoxy)-1-propylpiperidine?
The canonical SMILES for 4-(difluoromethoxy)-1-propylpiperidine is CCCN1CCC(OC(F)F)CC1.
What is the InChIKey of 4-(difluoromethoxy)-1-propylpiperidine?
The InChIKey is GCZKNHAQIDLXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-2-5-12-6-3-8(4-7-12)13-9(10)11/h8-9H,2-7H2,1H3.
What are the key properties of 4-(difluoromethoxy)-1-propylpiperidine?
4-(difluoromethoxy)-1-propylpiperidine has a molecular weight of 193.24 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-1-propylpiperidine is sourced from PubChem (CID 122485642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).