(3S,4S)-1-ethyl-4-fluoropiperidin-3-ol

C7H14FNO — CID 121359041

IUPAC(3S,4S)-1-ethyl-4-fluoropiperidin-3-ol
SMILESCCN1CC[C@H](F)[C@@H](O)C1
InChIInChI=1S/C7H14FNO/c1-2-9-4-3-6(8)7(10)5-9/h6-7,10H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyVXRHGMHXSQSQLR-BQBZGAKWSA-N
MW147.19 g/mol
LogP0.41
Rot. Bonds1

About (3S,4S)-1-ethyl-4-fluoropiperidin-3-ol

(3S,4S)-1-ethyl-4-fluoropiperidin-3-ol (PubChem CID 121359041) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is (3S,4S)-1-ethyl-4-fluoropiperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-ethyl-4-fluoropiperidin-3-ol
PubChem CID121359041
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name(3S,4S)-1-ethyl-4-fluoropiperidin-3-ol
SMILESCCN1CC[C@H](F)[C@@H](O)C1
InChIInChI=1S/C7H14FNO/c1-2-9-4-3-6(8)7(10)5-9/h6-7,10H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyVXRHGMHXSQSQLR-BQBZGAKWSA-N
XLogP0.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-ethyl-4-fluoropiperidin-3-ol?
The IUPAC name of (3S,4S)-1-ethyl-4-fluoropiperidin-3-ol (CID 121359041) is (3S,4S)-1-ethyl-4-fluoropiperidin-3-ol.
What is the SMILES notation for (3S,4S)-1-ethyl-4-fluoropiperidin-3-ol?
The canonical SMILES for (3S,4S)-1-ethyl-4-fluoropiperidin-3-ol is CCN1CC[C@H](F)[C@@H](O)C1.
What is the InChIKey of (3S,4S)-1-ethyl-4-fluoropiperidin-3-ol?
The InChIKey is VXRHGMHXSQSQLR-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H14FNO/c1-2-9-4-3-6(8)7(10)5-9/h6-7,10H,2-5H2,1H3/t6-,7-/m0/s1.
What are the key properties of (3S,4S)-1-ethyl-4-fluoropiperidin-3-ol?
(3S,4S)-1-ethyl-4-fluoropiperidin-3-ol has a molecular weight of 147.19 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-ethyl-4-fluoropiperidin-3-ol is sourced from PubChem (CID 121359041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).