4-fluoro-4-methyl-1-(3-propan-2-yloxypropyl)piperidine

C12H24FNO — CID 139447065

IUPAC4-fluoro-4-methyl-1-(3-propan-2-yloxypropyl)piperidine
SMILESCC(C)OCCCN1CCC(C)(F)CC1
InChIInChI=1S/C12H24FNO/c1-11(2)15-10-4-7-14-8-5-12(3,13)6-9-14/h11H,4-10H2,1-3H3
InChIKeyBGJIDGSHMVQNDK-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.63
Rot. Bonds5

About 4-fluoro-4-methyl-1-(3-propan-2-yloxypropyl)piperidine

4-fluoro-4-methyl-1-(3-propan-2-yloxypropyl)piperidine (PubChem CID 139447065) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 4-fluoro-4-methyl-1-(3-propan-2-yloxypropyl)piperidine.

Molecular Properties

Compound Name4-fluoro-4-methyl-1-(3-propan-2-yloxypropyl)piperidine
PubChem CID139447065
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name4-fluoro-4-methyl-1-(3-propan-2-yloxypropyl)piperidine
SMILESCC(C)OCCCN1CCC(C)(F)CC1
InChIInChI=1S/C12H24FNO/c1-11(2)15-10-4-7-14-8-5-12(3,13)6-9-14/h11H,4-10H2,1-3H3
InChIKeyBGJIDGSHMVQNDK-UHFFFAOYSA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.63
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 4-fluoro-4-methyl-1-(3-propan-2-yloxypropyl)piperidine?
The IUPAC name of 4-fluoro-4-methyl-1-(3-propan-2-yloxypropyl)piperidine (CID 139447065) is 4-fluoro-4-methyl-1-(3-propan-2-yloxypropyl)piperidine.
What is the SMILES notation for 4-fluoro-4-methyl-1-(3-propan-2-yloxypropyl)piperidine?
The canonical SMILES for 4-fluoro-4-methyl-1-(3-propan-2-yloxypropyl)piperidine is CC(C)OCCCN1CCC(C)(F)CC1.
What is the InChIKey of 4-fluoro-4-methyl-1-(3-propan-2-yloxypropyl)piperidine?
The InChIKey is BGJIDGSHMVQNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-11(2)15-10-4-7-14-8-5-12(3,13)6-9-14/h11H,4-10H2,1-3H3.
What are the key properties of 4-fluoro-4-methyl-1-(3-propan-2-yloxypropyl)piperidine?
4-fluoro-4-methyl-1-(3-propan-2-yloxypropyl)piperidine has a molecular weight of 217.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methyl-1-(3-propan-2-yloxypropyl)piperidine is sourced from PubChem (CID 139447065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).