(4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-ol

C9H17F2NO — CID 174853437

IUPAC(4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-ol
SMILESCC(C)CN1CC[C@H](O)C(F)(F)C1
InChIInChI=1S/C9H17F2NO/c1-7(2)5-12-4-3-8(13)9(10,11)6-12/h7-8,13H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyHIWIWROTLNMTIO-QMMMGPOBSA-N
MW193.24 g/mol
LogP1.34
Rot. Bonds2

About (4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-ol

(4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-ol (PubChem CID 174853437) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is (4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-ol.

Molecular Properties

Compound Name(4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-ol
PubChem CID174853437
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name(4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-ol
SMILESCC(C)CN1CC[C@H](O)C(F)(F)C1
InChIInChI=1S/C9H17F2NO/c1-7(2)5-12-4-3-8(13)9(10,11)6-12/h7-8,13H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyHIWIWROTLNMTIO-QMMMGPOBSA-N
XLogP1.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-ol?
The IUPAC name of (4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-ol (CID 174853437) is (4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-ol.
What is the SMILES notation for (4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-ol?
The canonical SMILES for (4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-ol is CC(C)CN1CC[C@H](O)C(F)(F)C1.
What is the InChIKey of (4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-ol?
The InChIKey is HIWIWROTLNMTIO-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7(2)5-12-4-3-8(13)9(10,11)6-12/h7-8,13H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-ol?
(4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-ol has a molecular weight of 193.24 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-ol is sourced from PubChem (CID 174853437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).