1-[4-(1-ethylpiperidin-4-yl)oxybutyl]-4,4-difluoropiperidine

C16H30F2N2O — CID 90825108

IUPAC1-[4-(1-ethylpiperidin-4-yl)oxybutyl]-4,4-difluoropiperidine
SMILESCCN1CCC(OCCCCN2CCC(F)(F)CC2)CC1
InChIInChI=1S/C16H30F2N2O/c1-2-19-10-5-15(6-11-19)21-14-4-3-9-20-12-7-16(17,18)8-13-20/h15H,2-14H2,1H3
InChIKeySQZAAVHABIZSEV-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.00
Rot. Bonds7

About 1-[4-(1-ethylpiperidin-4-yl)oxybutyl]-4,4-difluoropiperidine

1-[4-(1-ethylpiperidin-4-yl)oxybutyl]-4,4-difluoropiperidine (PubChem CID 90825108) has the molecular formula C16H30F2N2O and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[4-(1-ethylpiperidin-4-yl)oxybutyl]-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-[4-(1-ethylpiperidin-4-yl)oxybutyl]-4,4-difluoropiperidine
PubChem CID90825108
Molecular FormulaC16H30F2N2O
Molecular Weight304.43 g/mol
Exact Mass304.23
IUPAC Name1-[4-(1-ethylpiperidin-4-yl)oxybutyl]-4,4-difluoropiperidine
SMILESCCN1CCC(OCCCCN2CCC(F)(F)CC2)CC1
InChIInChI=1S/C16H30F2N2O/c1-2-19-10-5-15(6-11-19)21-14-4-3-9-20-12-7-16(17,18)8-13-20/h15H,2-14H2,1H3
InChIKeySQZAAVHABIZSEV-UHFFFAOYSA-N
XLogP3.00
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[4-(1-ethylpiperidin-4-yl)oxybutyl]-4,4-difluoropiperidine?
The IUPAC name of 1-[4-(1-ethylpiperidin-4-yl)oxybutyl]-4,4-difluoropiperidine (CID 90825108) is 1-[4-(1-ethylpiperidin-4-yl)oxybutyl]-4,4-difluoropiperidine.
What is the SMILES notation for 1-[4-(1-ethylpiperidin-4-yl)oxybutyl]-4,4-difluoropiperidine?
The canonical SMILES for 1-[4-(1-ethylpiperidin-4-yl)oxybutyl]-4,4-difluoropiperidine is CCN1CCC(OCCCCN2CCC(F)(F)CC2)CC1.
What is the InChIKey of 1-[4-(1-ethylpiperidin-4-yl)oxybutyl]-4,4-difluoropiperidine?
The InChIKey is SQZAAVHABIZSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2N2O/c1-2-19-10-5-15(6-11-19)21-14-4-3-9-20-12-7-16(17,18)8-13-20/h15H,2-14H2,1H3.
What are the key properties of 1-[4-(1-ethylpiperidin-4-yl)oxybutyl]-4,4-difluoropiperidine?
1-[4-(1-ethylpiperidin-4-yl)oxybutyl]-4,4-difluoropiperidine has a molecular weight of 304.43 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-ethylpiperidin-4-yl)oxybutyl]-4,4-difluoropiperidine is sourced from PubChem (CID 90825108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).