(3S)-4-(3,3-dimethylbutyl)-3-fluoropiperidine

C11H22FN — CID 58286767

IUPAC(3S)-4-(3,3-dimethylbutyl)-3-fluoropiperidine
SMILESCC(C)(C)CCC1CCNC[C@H]1F
InChIInChI=1S/C11H22FN/c1-11(2,3)6-4-9-5-7-13-8-10(9)12/h9-10,13H,4-8H2,1-3H3/t9?,10-/m1/s1
InChIKeyQCZDOOOEMLFGMC-QVDQXJPCSA-N
MW187.30 g/mol
LogP2.76
Rot. Bonds2

About (3S)-4-(3,3-dimethylbutyl)-3-fluoropiperidine

(3S)-4-(3,3-dimethylbutyl)-3-fluoropiperidine (PubChem CID 58286767) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is (3S)-4-(3,3-dimethylbutyl)-3-fluoropiperidine.

Molecular Properties

Compound Name(3S)-4-(3,3-dimethylbutyl)-3-fluoropiperidine
PubChem CID58286767
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name(3S)-4-(3,3-dimethylbutyl)-3-fluoropiperidine
SMILESCC(C)(C)CCC1CCNC[C@H]1F
InChIInChI=1S/C11H22FN/c1-11(2,3)6-4-9-5-7-13-8-10(9)12/h9-10,13H,4-8H2,1-3H3/t9?,10-/m1/s1
InChIKeyQCZDOOOEMLFGMC-QVDQXJPCSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-(3,3-dimethylbutyl)-3-fluoropiperidine?
The IUPAC name of (3S)-4-(3,3-dimethylbutyl)-3-fluoropiperidine (CID 58286767) is (3S)-4-(3,3-dimethylbutyl)-3-fluoropiperidine.
What is the SMILES notation for (3S)-4-(3,3-dimethylbutyl)-3-fluoropiperidine?
The canonical SMILES for (3S)-4-(3,3-dimethylbutyl)-3-fluoropiperidine is CC(C)(C)CCC1CCNC[C@H]1F.
What is the InChIKey of (3S)-4-(3,3-dimethylbutyl)-3-fluoropiperidine?
The InChIKey is QCZDOOOEMLFGMC-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H22FN/c1-11(2,3)6-4-9-5-7-13-8-10(9)12/h9-10,13H,4-8H2,1-3H3/t9?,10-/m1/s1.
What are the key properties of (3S)-4-(3,3-dimethylbutyl)-3-fluoropiperidine?
(3S)-4-(3,3-dimethylbutyl)-3-fluoropiperidine has a molecular weight of 187.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(3,3-dimethylbutyl)-3-fluoropiperidine is sourced from PubChem (CID 58286767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).