(3S)-1-(2-fluoroethyl)-3-methoxypiperidine

C8H16FNO — CID 88981465

IUPAC(3S)-1-(2-fluoroethyl)-3-methoxypiperidine
SMILESCO[C@H]1CCCN(CCF)C1
InChIInChI=1S/C8H16FNO/c1-11-8-3-2-5-10(7-8)6-4-9/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyNNRDMXDWXONIAA-QMMMGPOBSA-N
MW161.22 g/mol
LogP1.07
Rot. Bonds3

About (3S)-1-(2-fluoroethyl)-3-methoxypiperidine

(3S)-1-(2-fluoroethyl)-3-methoxypiperidine (PubChem CID 88981465) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (3S)-1-(2-fluoroethyl)-3-methoxypiperidine.

Molecular Properties

Compound Name(3S)-1-(2-fluoroethyl)-3-methoxypiperidine
PubChem CID88981465
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(3S)-1-(2-fluoroethyl)-3-methoxypiperidine
SMILESCO[C@H]1CCCN(CCF)C1
InChIInChI=1S/C8H16FNO/c1-11-8-3-2-5-10(7-8)6-4-9/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyNNRDMXDWXONIAA-QMMMGPOBSA-N
XLogP1.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Methoxyethyl)-1-methylpiperidin-1-ium
CID 3095445
1-(2-Methoxyethyl)piperidin-3-ol
CID 54593652
N-2-methoxyethylpiperidine
CID 22048494
1-(2-Methoxypropyl)piperidine
CID 23189147
3-Methoxy-1-propylpiperidine
CID 58528672
4,4-Difluoro-3-methoxy-1-propan-2-ylpiperidine
CID 58110410
1-[2-(1,1,1-Trifluoropropan-2-yloxy)ethyl]piperidine
CID 59204085
1-(3-Fluoropropyl)-3-methoxypiperidine
CID 59667673
1-(2-Fluoroethyl)-3-methoxypiperidine
CID 59668043
3-[3-(1-Fluoroethoxy)piperidin-1-yl]propan-1-ol
CID 67282099
3-[3-(1-Fluoropropan-2-yloxy)piperidin-1-yl]propan-1-ol
CID 67282140
3-Fluoro-4-hexylmorpholine
CID 67944016

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-fluoroethyl)-3-methoxypiperidine?
The IUPAC name of (3S)-1-(2-fluoroethyl)-3-methoxypiperidine (CID 88981465) is (3S)-1-(2-fluoroethyl)-3-methoxypiperidine.
What is the SMILES notation for (3S)-1-(2-fluoroethyl)-3-methoxypiperidine?
The canonical SMILES for (3S)-1-(2-fluoroethyl)-3-methoxypiperidine is CO[C@H]1CCCN(CCF)C1.
What is the InChIKey of (3S)-1-(2-fluoroethyl)-3-methoxypiperidine?
The InChIKey is NNRDMXDWXONIAA-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16FNO/c1-11-8-3-2-5-10(7-8)6-4-9/h8H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-1-(2-fluoroethyl)-3-methoxypiperidine?
(3S)-1-(2-fluoroethyl)-3-methoxypiperidine has a molecular weight of 161.22 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-fluoroethyl)-3-methoxypiperidine is sourced from PubChem (CID 88981465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).