(3S)-3-fluoro-3-(methoxymethyl)piperidine

C7H14FNO — CID 177327141

IUPAC(3S)-3-fluoro-3-(methoxymethyl)piperidine
SMILESCOC[C@]1(F)CCCNC1
InChIInChI=1S/C7H14FNO/c1-10-6-7(8)3-2-4-9-5-7/h9H,2-6H2,1H3/t7-/m0/s1
InChIKeyNXVNSXHLNDRYCV-ZETCQYMHSA-N
MW147.19 g/mol
LogP0.72
Rot. Bonds2

About (3S)-3-fluoro-3-(methoxymethyl)piperidine

(3S)-3-fluoro-3-(methoxymethyl)piperidine (PubChem CID 177327141) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is (3S)-3-fluoro-3-(methoxymethyl)piperidine.

Molecular Properties

Compound Name(3S)-3-fluoro-3-(methoxymethyl)piperidine
PubChem CID177327141
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name(3S)-3-fluoro-3-(methoxymethyl)piperidine
SMILESCOC[C@]1(F)CCCNC1
InChIInChI=1S/C7H14FNO/c1-10-6-7(8)3-2-4-9-5-7/h9H,2-6H2,1H3/t7-/m0/s1
InChIKeyNXVNSXHLNDRYCV-ZETCQYMHSA-N
XLogP0.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-3-(methoxymethyl)piperidine?
The IUPAC name of (3S)-3-fluoro-3-(methoxymethyl)piperidine (CID 177327141) is (3S)-3-fluoro-3-(methoxymethyl)piperidine.
What is the SMILES notation for (3S)-3-fluoro-3-(methoxymethyl)piperidine?
The canonical SMILES for (3S)-3-fluoro-3-(methoxymethyl)piperidine is COC[C@]1(F)CCCNC1.
What is the InChIKey of (3S)-3-fluoro-3-(methoxymethyl)piperidine?
The InChIKey is NXVNSXHLNDRYCV-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14FNO/c1-10-6-7(8)3-2-4-9-5-7/h9H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-3-fluoro-3-(methoxymethyl)piperidine?
(3S)-3-fluoro-3-(methoxymethyl)piperidine has a molecular weight of 147.19 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-3-(methoxymethyl)piperidine is sourced from PubChem (CID 177327141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).