(3S)-3-fluoro-4-(2-methylpropyl)piperidine

C9H18FN — CID 58286890

IUPAC(3S)-3-fluoro-4-(2-methylpropyl)piperidine
SMILESCC(C)CC1CCNC[C@H]1F
InChIInChI=1S/C9H18FN/c1-7(2)5-8-3-4-11-6-9(8)10/h7-9,11H,3-6H2,1-2H3/t8?,9-/m1/s1
InChIKeyVYPJYTJEYNWXDZ-YGPZHTELSA-N
MW159.25 g/mol
LogP1.98
Rot. Bonds2

About (3S)-3-fluoro-4-(2-methylpropyl)piperidine

(3S)-3-fluoro-4-(2-methylpropyl)piperidine (PubChem CID 58286890) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is (3S)-3-fluoro-4-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name(3S)-3-fluoro-4-(2-methylpropyl)piperidine
PubChem CID58286890
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name(3S)-3-fluoro-4-(2-methylpropyl)piperidine
SMILESCC(C)CC1CCNC[C@H]1F
InChIInChI=1S/C9H18FN/c1-7(2)5-8-3-4-11-6-9(8)10/h7-9,11H,3-6H2,1-2H3/t8?,9-/m1/s1
InChIKeyVYPJYTJEYNWXDZ-YGPZHTELSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-4-(2-methylpropyl)piperidine?
The IUPAC name of (3S)-3-fluoro-4-(2-methylpropyl)piperidine (CID 58286890) is (3S)-3-fluoro-4-(2-methylpropyl)piperidine.
What is the SMILES notation for (3S)-3-fluoro-4-(2-methylpropyl)piperidine?
The canonical SMILES for (3S)-3-fluoro-4-(2-methylpropyl)piperidine is CC(C)CC1CCNC[C@H]1F.
What is the InChIKey of (3S)-3-fluoro-4-(2-methylpropyl)piperidine?
The InChIKey is VYPJYTJEYNWXDZ-YGPZHTELSA-N. The full InChI is InChI=1S/C9H18FN/c1-7(2)5-8-3-4-11-6-9(8)10/h7-9,11H,3-6H2,1-2H3/t8?,9-/m1/s1.
What are the key properties of (3S)-3-fluoro-4-(2-methylpropyl)piperidine?
(3S)-3-fluoro-4-(2-methylpropyl)piperidine has a molecular weight of 159.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-4-(2-methylpropyl)piperidine is sourced from PubChem (CID 58286890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).