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

C7H14FNO — CID 67202820

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

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

(3S,4R)-1-ethyl-3-fluoropiperidin-4-ol (PubChem CID 67202820) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is (3S,4R)-1-ethyl-3-fluoropiperidin-4-ol.

Molecular Properties

Compound Name(3S,4R)-1-ethyl-3-fluoropiperidin-4-ol
PubChem CID67202820
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name(3S,4R)-1-ethyl-3-fluoropiperidin-4-ol
SMILESCCN1CC[C@@H](O)[C@@H](F)C1
InChIInChI=1S/C7H14FNO/c1-2-9-4-3-7(10)6(8)5-9/h6-7,10H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyNOFRBECEZMRWOE-NKWVEPMBSA-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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Related Compounds

1-ethyl-3-fluoropiperidin-4-ol
CID 58266532
(3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-ol
CID 176977042
(3S,4R)-1-ethyl-3-methylpiperidin-4-ol
CID 143448112
(3R,4S)-1,3-diethylpiperidin-4-ol
CID 129380803
1-ethylpyrrolidin-3-ol;hydrochloride
CID 174666123
3-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]propyl hypoiodite
CID 139447093
(3S)-1-ethylpyrrolidin-3-amine
CID 10678211
(3R,4S)-1-ethyl-3-fluoro-N-propan-2-ylpiperidin-4-amine
CID 172535668
5-amino-1-ethylazepan-4-ol
CID 177033460
(3R)-4-(2,2-dimethylpropyl)-1-ethylpiperidin-3-ol
CID 58286758
1-ethyl-6-methylazepan-4-ol
CID 166157584
(3R)-3-(difluoromethyl)-1-ethylpyrrolidine
CID 130339062

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-ethyl-3-fluoropiperidin-4-ol?
The IUPAC name of (3S,4R)-1-ethyl-3-fluoropiperidin-4-ol (CID 67202820) is (3S,4R)-1-ethyl-3-fluoropiperidin-4-ol.
What is the SMILES notation for (3S,4R)-1-ethyl-3-fluoropiperidin-4-ol?
The canonical SMILES for (3S,4R)-1-ethyl-3-fluoropiperidin-4-ol is CCN1CC[C@@H](O)[C@@H](F)C1.
What is the InChIKey of (3S,4R)-1-ethyl-3-fluoropiperidin-4-ol?
The InChIKey is NOFRBECEZMRWOE-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H14FNO/c1-2-9-4-3-7(10)6(8)5-9/h6-7,10H,2-5H2,1H3/t6-,7+/m0/s1.
What are the key properties of (3S,4R)-1-ethyl-3-fluoropiperidin-4-ol?
(3S,4R)-1-ethyl-3-fluoropiperidin-4-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,4R)-1-ethyl-3-fluoropiperidin-4-ol is sourced from PubChem (CID 67202820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).