(3S)-3-fluoro-1-methyl-4-(2-methylpropyl)piperidine

C10H20FN — CID 58286896

IUPAC(3S)-3-fluoro-1-methyl-4-(2-methylpropyl)piperidine
SMILESCC(C)CC1CCN(C)C[C@H]1F
InChIInChI=1S/C10H20FN/c1-8(2)6-9-4-5-12(3)7-10(9)11/h8-10H,4-7H2,1-3H3/t9?,10-/m1/s1
InChIKeyRXQMJORFJDBVTO-QVDQXJPCSA-N
MW173.28 g/mol
LogP2.32
Rot. Bonds2

About (3S)-3-fluoro-1-methyl-4-(2-methylpropyl)piperidine

(3S)-3-fluoro-1-methyl-4-(2-methylpropyl)piperidine (PubChem CID 58286896) has the molecular formula C10H20FN and a molecular weight of 173.28 g/mol. Its IUPAC name is (3S)-3-fluoro-1-methyl-4-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name(3S)-3-fluoro-1-methyl-4-(2-methylpropyl)piperidine
PubChem CID58286896
Molecular FormulaC10H20FN
Molecular Weight173.28 g/mol
Exact Mass173.16
IUPAC Name(3S)-3-fluoro-1-methyl-4-(2-methylpropyl)piperidine
SMILESCC(C)CC1CCN(C)C[C@H]1F
InChIInChI=1S/C10H20FN/c1-8(2)6-9-4-5-12(3)7-10(9)11/h8-10H,4-7H2,1-3H3/t9?,10-/m1/s1
InChIKeyRXQMJORFJDBVTO-QVDQXJPCSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-1-methyl-4-(2-methylpropyl)piperidine?
The IUPAC name of (3S)-3-fluoro-1-methyl-4-(2-methylpropyl)piperidine (CID 58286896) is (3S)-3-fluoro-1-methyl-4-(2-methylpropyl)piperidine.
What is the SMILES notation for (3S)-3-fluoro-1-methyl-4-(2-methylpropyl)piperidine?
The canonical SMILES for (3S)-3-fluoro-1-methyl-4-(2-methylpropyl)piperidine is CC(C)CC1CCN(C)C[C@H]1F.
What is the InChIKey of (3S)-3-fluoro-1-methyl-4-(2-methylpropyl)piperidine?
The InChIKey is RXQMJORFJDBVTO-QVDQXJPCSA-N. The full InChI is InChI=1S/C10H20FN/c1-8(2)6-9-4-5-12(3)7-10(9)11/h8-10H,4-7H2,1-3H3/t9?,10-/m1/s1.
What are the key properties of (3S)-3-fluoro-1-methyl-4-(2-methylpropyl)piperidine?
(3S)-3-fluoro-1-methyl-4-(2-methylpropyl)piperidine has a molecular weight of 173.28 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-1-methyl-4-(2-methylpropyl)piperidine is sourced from PubChem (CID 58286896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).