4-tert-butyl-1-[(3S,4S)-3-fluorooxan-4-yl]piperidine

C14H26FNO — CID 118084479

IUPAC4-tert-butyl-1-[(3S,4S)-3-fluorooxan-4-yl]piperidine
SMILESCC(C)(C)C1CCN([C@H]2CCOC[C@H]2F)CC1
InChIInChI=1S/C14H26FNO/c1-14(2,3)11-4-7-16(8-5-11)13-6-9-17-10-12(13)15/h11-13H,4-10H2,1-3H3/t12-,13+/m1/s1
InChIKeyRVAWKLLHLHRBSS-OLZOCXBDSA-N
MW243.37 g/mol
LogP2.87
Rot. Bonds1

About 4-tert-butyl-1-[(3S,4S)-3-fluorooxan-4-yl]piperidine

4-tert-butyl-1-[(3S,4S)-3-fluorooxan-4-yl]piperidine (PubChem CID 118084479) has the molecular formula C14H26FNO and a molecular weight of 243.37 g/mol. Its IUPAC name is 4-tert-butyl-1-[(3S,4S)-3-fluorooxan-4-yl]piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-[(3S,4S)-3-fluorooxan-4-yl]piperidine
PubChem CID118084479
Molecular FormulaC14H26FNO
Molecular Weight243.37 g/mol
Exact Mass243.20
IUPAC Name4-tert-butyl-1-[(3S,4S)-3-fluorooxan-4-yl]piperidine
SMILESCC(C)(C)C1CCN([C@H]2CCOC[C@H]2F)CC1
InChIInChI=1S/C14H26FNO/c1-14(2,3)11-4-7-16(8-5-11)13-6-9-17-10-12(13)15/h11-13H,4-10H2,1-3H3/t12-,13+/m1/s1
InChIKeyRVAWKLLHLHRBSS-OLZOCXBDSA-N
XLogP2.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(3S,4S)-3-fluorooxan-4-yl]piperidine?
The IUPAC name of 4-tert-butyl-1-[(3S,4S)-3-fluorooxan-4-yl]piperidine (CID 118084479) is 4-tert-butyl-1-[(3S,4S)-3-fluorooxan-4-yl]piperidine.
What is the SMILES notation for 4-tert-butyl-1-[(3S,4S)-3-fluorooxan-4-yl]piperidine?
The canonical SMILES for 4-tert-butyl-1-[(3S,4S)-3-fluorooxan-4-yl]piperidine is CC(C)(C)C1CCN([C@H]2CCOC[C@H]2F)CC1.
What is the InChIKey of 4-tert-butyl-1-[(3S,4S)-3-fluorooxan-4-yl]piperidine?
The InChIKey is RVAWKLLHLHRBSS-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H26FNO/c1-14(2,3)11-4-7-16(8-5-11)13-6-9-17-10-12(13)15/h11-13H,4-10H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of 4-tert-butyl-1-[(3S,4S)-3-fluorooxan-4-yl]piperidine?
4-tert-butyl-1-[(3S,4S)-3-fluorooxan-4-yl]piperidine has a molecular weight of 243.37 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(3S,4S)-3-fluorooxan-4-yl]piperidine is sourced from PubChem (CID 118084479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).