[(3R)-3-fluoro-1-propan-2-ylpiperidin-3-yl]methanol

C9H18FNO — CID 134429393

IUPAC[(3R)-3-fluoro-1-propan-2-ylpiperidin-3-yl]methanol
SMILESCC(C)N1CCC[C@](F)(CO)C1
InChIInChI=1S/C9H18FNO/c1-8(2)11-5-3-4-9(10,6-11)7-12/h8,12H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyDHVBRJNLSSLJLG-SECBINFHSA-N
MW175.25 g/mol
LogP1.19
Rot. Bonds2

About [(3R)-3-fluoro-1-propan-2-ylpiperidin-3-yl]methanol

[(3R)-3-fluoro-1-propan-2-ylpiperidin-3-yl]methanol (PubChem CID 134429393) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is [(3R)-3-fluoro-1-propan-2-ylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-3-fluoro-1-propan-2-ylpiperidin-3-yl]methanol
PubChem CID134429393
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name[(3R)-3-fluoro-1-propan-2-ylpiperidin-3-yl]methanol
SMILESCC(C)N1CCC[C@](F)(CO)C1
InChIInChI=1S/C9H18FNO/c1-8(2)11-5-3-4-9(10,6-11)7-12/h8,12H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyDHVBRJNLSSLJLG-SECBINFHSA-N
XLogP1.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-fluoro-1-propan-2-ylpiperidin-3-yl]methanol?
The IUPAC name of [(3R)-3-fluoro-1-propan-2-ylpiperidin-3-yl]methanol (CID 134429393) is [(3R)-3-fluoro-1-propan-2-ylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-3-fluoro-1-propan-2-ylpiperidin-3-yl]methanol?
The canonical SMILES for [(3R)-3-fluoro-1-propan-2-ylpiperidin-3-yl]methanol is CC(C)N1CCC[C@](F)(CO)C1.
What is the InChIKey of [(3R)-3-fluoro-1-propan-2-ylpiperidin-3-yl]methanol?
The InChIKey is DHVBRJNLSSLJLG-SECBINFHSA-N. The full InChI is InChI=1S/C9H18FNO/c1-8(2)11-5-3-4-9(10,6-11)7-12/h8,12H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of [(3R)-3-fluoro-1-propan-2-ylpiperidin-3-yl]methanol?
[(3R)-3-fluoro-1-propan-2-ylpiperidin-3-yl]methanol has a molecular weight of 175.25 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-fluoro-1-propan-2-ylpiperidin-3-yl]methanol is sourced from PubChem (CID 134429393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).