[(3S,4R)-4-(2-fluorophenyl)-1-methylpiperidin-3-yl]methanol

C13H18FNO — CID 57377167

IUPAC[(3S,4R)-4-(2-fluorophenyl)-1-methylpiperidin-3-yl]methanol
SMILESCN1CC[C@@H](c2ccccc2F)[C@H](CO)C1
InChIInChI=1S/C13H18FNO/c1-15-7-6-11(10(8-15)9-16)12-4-2-3-5-13(12)14/h2-5,10-11,16H,6-9H2,1H3/t10-,11+/m0/s1
InChIKeyMTPBJZJBULTHST-WDEREUQCSA-N
MW223.29 g/mol
LogP1.85
Rot. Bonds2

About [(3S,4R)-4-(2-fluorophenyl)-1-methylpiperidin-3-yl]methanol

[(3S,4R)-4-(2-fluorophenyl)-1-methylpiperidin-3-yl]methanol (PubChem CID 57377167) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is [(3S,4R)-4-(2-fluorophenyl)-1-methylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4R)-4-(2-fluorophenyl)-1-methylpiperidin-3-yl]methanol
PubChem CID57377167
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name[(3S,4R)-4-(2-fluorophenyl)-1-methylpiperidin-3-yl]methanol
SMILESCN1CC[C@@H](c2ccccc2F)[C@H](CO)C1
InChIInChI=1S/C13H18FNO/c1-15-7-6-11(10(8-15)9-16)12-4-2-3-5-13(12)14/h2-5,10-11,16H,6-9H2,1H3/t10-,11+/m0/s1
InChIKeyMTPBJZJBULTHST-WDEREUQCSA-N
XLogP1.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-(2-fluorophenyl)-1-methylpiperidin-3-yl]methanol?
The IUPAC name of [(3S,4R)-4-(2-fluorophenyl)-1-methylpiperidin-3-yl]methanol (CID 57377167) is [(3S,4R)-4-(2-fluorophenyl)-1-methylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S,4R)-4-(2-fluorophenyl)-1-methylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S,4R)-4-(2-fluorophenyl)-1-methylpiperidin-3-yl]methanol is CN1CC[C@@H](c2ccccc2F)[C@H](CO)C1.
What is the InChIKey of [(3S,4R)-4-(2-fluorophenyl)-1-methylpiperidin-3-yl]methanol?
The InChIKey is MTPBJZJBULTHST-WDEREUQCSA-N. The full InChI is InChI=1S/C13H18FNO/c1-15-7-6-11(10(8-15)9-16)12-4-2-3-5-13(12)14/h2-5,10-11,16H,6-9H2,1H3/t10-,11+/m0/s1.
What are the key properties of [(3S,4R)-4-(2-fluorophenyl)-1-methylpiperidin-3-yl]methanol?
[(3S,4R)-4-(2-fluorophenyl)-1-methylpiperidin-3-yl]methanol has a molecular weight of 223.29 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-(2-fluorophenyl)-1-methylpiperidin-3-yl]methanol is sourced from PubChem (CID 57377167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).