(4S)-3-fluoro-1-(3-hydroxypropyl)piperidin-4-ol

C8H16FNO2 — CID 167131745

IUPAC(4S)-3-fluoro-1-(3-hydroxypropyl)piperidin-4-ol
SMILESOCCCN1CC[C@H](O)C(F)C1
InChIInChI=1S/C8H16FNO2/c9-7-6-10(3-1-5-11)4-2-8(7)12/h7-8,11-12H,1-6H2/t7?,8-/m0/s1
InChIKeyKOCVXCIWCGZESJ-MQWKRIRWSA-N
MW177.22 g/mol
LogP-0.23
Rot. Bonds3

About (4S)-3-fluoro-1-(3-hydroxypropyl)piperidin-4-ol

(4S)-3-fluoro-1-(3-hydroxypropyl)piperidin-4-ol (PubChem CID 167131745) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is (4S)-3-fluoro-1-(3-hydroxypropyl)piperidin-4-ol.

Molecular Properties

Compound Name(4S)-3-fluoro-1-(3-hydroxypropyl)piperidin-4-ol
PubChem CID167131745
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Name(4S)-3-fluoro-1-(3-hydroxypropyl)piperidin-4-ol
SMILESOCCCN1CC[C@H](O)C(F)C1
InChIInChI=1S/C8H16FNO2/c9-7-6-10(3-1-5-11)4-2-8(7)12/h7-8,11-12H,1-6H2/t7?,8-/m0/s1
InChIKeyKOCVXCIWCGZESJ-MQWKRIRWSA-N
XLogP-0.23
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-fluoro-1-(3-hydroxypropyl)piperidin-4-ol?
The IUPAC name of (4S)-3-fluoro-1-(3-hydroxypropyl)piperidin-4-ol (CID 167131745) is (4S)-3-fluoro-1-(3-hydroxypropyl)piperidin-4-ol.
What is the SMILES notation for (4S)-3-fluoro-1-(3-hydroxypropyl)piperidin-4-ol?
The canonical SMILES for (4S)-3-fluoro-1-(3-hydroxypropyl)piperidin-4-ol is OCCCN1CC[C@H](O)C(F)C1.
What is the InChIKey of (4S)-3-fluoro-1-(3-hydroxypropyl)piperidin-4-ol?
The InChIKey is KOCVXCIWCGZESJ-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H16FNO2/c9-7-6-10(3-1-5-11)4-2-8(7)12/h7-8,11-12H,1-6H2/t7?,8-/m0/s1.
What are the key properties of (4S)-3-fluoro-1-(3-hydroxypropyl)piperidin-4-ol?
(4S)-3-fluoro-1-(3-hydroxypropyl)piperidin-4-ol has a molecular weight of 177.22 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-fluoro-1-(3-hydroxypropyl)piperidin-4-ol is sourced from PubChem (CID 167131745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).