(3S,4S)-4-[(2,2-dimethylcyclopropyl)methoxy]-3-fluoropiperidine

C11H20FNO — CID 129290420

IUPAC(3S,4S)-4-[(2,2-dimethylcyclopropyl)methoxy]-3-fluoropiperidine
SMILESCC1(C)CC1CO[C@H]1CCNC[C@@H]1F
InChIInChI=1S/C11H20FNO/c1-11(2)5-8(11)7-14-10-3-4-13-6-9(10)12/h8-10,13H,3-7H2,1-2H3/t8?,9-,10-/m0/s1
InChIKeyBVZJHNQXKQFMCR-AGROOBSYSA-N
MW201.28 g/mol
LogP1.75
Rot. Bonds3

About (3S,4S)-4-[(2,2-dimethylcyclopropyl)methoxy]-3-fluoropiperidine

(3S,4S)-4-[(2,2-dimethylcyclopropyl)methoxy]-3-fluoropiperidine (PubChem CID 129290420) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is (3S,4S)-4-[(2,2-dimethylcyclopropyl)methoxy]-3-fluoropiperidine.

Molecular Properties

Compound Name(3S,4S)-4-[(2,2-dimethylcyclopropyl)methoxy]-3-fluoropiperidine
PubChem CID129290420
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name(3S,4S)-4-[(2,2-dimethylcyclopropyl)methoxy]-3-fluoropiperidine
SMILESCC1(C)CC1CO[C@H]1CCNC[C@@H]1F
InChIInChI=1S/C11H20FNO/c1-11(2)5-8(11)7-14-10-3-4-13-6-9(10)12/h8-10,13H,3-7H2,1-2H3/t8?,9-,10-/m0/s1
InChIKeyBVZJHNQXKQFMCR-AGROOBSYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[(2,2-dimethylcyclopropyl)methoxy]-3-fluoropiperidine?
The IUPAC name of (3S,4S)-4-[(2,2-dimethylcyclopropyl)methoxy]-3-fluoropiperidine (CID 129290420) is (3S,4S)-4-[(2,2-dimethylcyclopropyl)methoxy]-3-fluoropiperidine.
What is the SMILES notation for (3S,4S)-4-[(2,2-dimethylcyclopropyl)methoxy]-3-fluoropiperidine?
The canonical SMILES for (3S,4S)-4-[(2,2-dimethylcyclopropyl)methoxy]-3-fluoropiperidine is CC1(C)CC1CO[C@H]1CCNC[C@@H]1F.
What is the InChIKey of (3S,4S)-4-[(2,2-dimethylcyclopropyl)methoxy]-3-fluoropiperidine?
The InChIKey is BVZJHNQXKQFMCR-AGROOBSYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-11(2)5-8(11)7-14-10-3-4-13-6-9(10)12/h8-10,13H,3-7H2,1-2H3/t8?,9-,10-/m0/s1.
What are the key properties of (3S,4S)-4-[(2,2-dimethylcyclopropyl)methoxy]-3-fluoropiperidine?
(3S,4S)-4-[(2,2-dimethylcyclopropyl)methoxy]-3-fluoropiperidine has a molecular weight of 201.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[(2,2-dimethylcyclopropyl)methoxy]-3-fluoropiperidine is sourced from PubChem (CID 129290420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).