4-fluoro-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidine

C16H31FN2 — CID 155129389

IUPAC4-fluoro-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidine
SMILESCC(C)N1CCC(C(C)(C)N2CCC(F)CC2)CC1
InChIInChI=1S/C16H31FN2/c1-13(2)18-9-5-14(6-10-18)16(3,4)19-11-7-15(17)8-12-19/h13-15H,5-12H2,1-4H3
InChIKeyKALKVMRNPXQVEL-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.32
Rot. Bonds3

About 4-fluoro-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidine

4-fluoro-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidine (PubChem CID 155129389) has the molecular formula C16H31FN2 and a molecular weight of 270.44 g/mol. Its IUPAC name is 4-fluoro-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidine.

Molecular Properties

Compound Name4-fluoro-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidine
PubChem CID155129389
Molecular FormulaC16H31FN2
Molecular Weight270.44 g/mol
Exact Mass270.25
IUPAC Name4-fluoro-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidine
SMILESCC(C)N1CCC(C(C)(C)N2CCC(F)CC2)CC1
InChIInChI=1S/C16H31FN2/c1-13(2)18-9-5-14(6-10-18)16(3,4)19-11-7-15(17)8-12-19/h13-15H,5-12H2,1-4H3
InChIKeyKALKVMRNPXQVEL-UHFFFAOYSA-N
XLogP3.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidine?
The IUPAC name of 4-fluoro-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidine (CID 155129389) is 4-fluoro-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidine.
What is the SMILES notation for 4-fluoro-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidine?
The canonical SMILES for 4-fluoro-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidine is CC(C)N1CCC(C(C)(C)N2CCC(F)CC2)CC1.
What is the InChIKey of 4-fluoro-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidine?
The InChIKey is KALKVMRNPXQVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31FN2/c1-13(2)18-9-5-14(6-10-18)16(3,4)19-11-7-15(17)8-12-19/h13-15H,5-12H2,1-4H3.
What are the key properties of 4-fluoro-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidine?
4-fluoro-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidine has a molecular weight of 270.44 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidine is sourced from PubChem (CID 155129389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).