(3S)-3-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine

C10H20FNO — CID 147142299

IUPAC(3S)-3-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine
SMILESCC(C)OC[C@]1(F)CCCN(C)C1
InChIInChI=1S/C10H20FNO/c1-9(2)13-8-10(11)5-4-6-12(3)7-10/h9H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyBSJDNYMWVHOUMI-JTQLQIEISA-N
MW189.27 g/mol
LogP1.85
Rot. Bonds3

About (3S)-3-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine

(3S)-3-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine (PubChem CID 147142299) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is (3S)-3-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine.

Molecular Properties

Compound Name(3S)-3-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine
PubChem CID147142299
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name(3S)-3-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine
SMILESCC(C)OC[C@]1(F)CCCN(C)C1
InChIInChI=1S/C10H20FNO/c1-9(2)13-8-10(11)5-4-6-12(3)7-10/h9H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyBSJDNYMWVHOUMI-JTQLQIEISA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine?
The IUPAC name of (3S)-3-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine (CID 147142299) is (3S)-3-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine.
What is the SMILES notation for (3S)-3-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine?
The canonical SMILES for (3S)-3-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine is CC(C)OC[C@]1(F)CCCN(C)C1.
What is the InChIKey of (3S)-3-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine?
The InChIKey is BSJDNYMWVHOUMI-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20FNO/c1-9(2)13-8-10(11)5-4-6-12(3)7-10/h9H,4-8H2,1-3H3/t10-/m0/s1.
What are the key properties of (3S)-3-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine?
(3S)-3-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine has a molecular weight of 189.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine is sourced from PubChem (CID 147142299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).