[(3S)-4,4-difluoro-3-methyl-1-prop-2-enylpiperidin-3-yl]methanol

C10H17F2NO — CID 171479044

IUPAC[(3S)-4,4-difluoro-3-methyl-1-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CCN1CCC(F)(F)[C@](C)(CO)C1
InChIInChI=1S/C10H17F2NO/c1-3-5-13-6-4-10(11,12)9(2,7-13)8-14/h3,14H,1,4-8H2,2H3/t9-/m0/s1
InChIKeyDOIPKYINSOQMSV-VIFPVBQESA-N
MW205.25 g/mol
LogP1.51
Rot. Bonds3

About [(3S)-4,4-difluoro-3-methyl-1-prop-2-enylpiperidin-3-yl]methanol

[(3S)-4,4-difluoro-3-methyl-1-prop-2-enylpiperidin-3-yl]methanol (PubChem CID 171479044) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is [(3S)-4,4-difluoro-3-methyl-1-prop-2-enylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-4,4-difluoro-3-methyl-1-prop-2-enylpiperidin-3-yl]methanol
PubChem CID171479044
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name[(3S)-4,4-difluoro-3-methyl-1-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CCN1CCC(F)(F)[C@](C)(CO)C1
InChIInChI=1S/C10H17F2NO/c1-3-5-13-6-4-10(11,12)9(2,7-13)8-14/h3,14H,1,4-8H2,2H3/t9-/m0/s1
InChIKeyDOIPKYINSOQMSV-VIFPVBQESA-N
XLogP1.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3S)-4,4-difluoro-3-methyl-1-prop-2-enylpiperidin-3-yl]methanol?
The IUPAC name of [(3S)-4,4-difluoro-3-methyl-1-prop-2-enylpiperidin-3-yl]methanol (CID 171479044) is [(3S)-4,4-difluoro-3-methyl-1-prop-2-enylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-4,4-difluoro-3-methyl-1-prop-2-enylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S)-4,4-difluoro-3-methyl-1-prop-2-enylpiperidin-3-yl]methanol is C=CCN1CCC(F)(F)[C@](C)(CO)C1.
What is the InChIKey of [(3S)-4,4-difluoro-3-methyl-1-prop-2-enylpiperidin-3-yl]methanol?
The InChIKey is DOIPKYINSOQMSV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17F2NO/c1-3-5-13-6-4-10(11,12)9(2,7-13)8-14/h3,14H,1,4-8H2,2H3/t9-/m0/s1.
What are the key properties of [(3S)-4,4-difluoro-3-methyl-1-prop-2-enylpiperidin-3-yl]methanol?
[(3S)-4,4-difluoro-3-methyl-1-prop-2-enylpiperidin-3-yl]methanol has a molecular weight of 205.25 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4,4-difluoro-3-methyl-1-prop-2-enylpiperidin-3-yl]methanol is sourced from PubChem (CID 171479044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).