[(3S,4S)-4-phenylpiperidin-3-yl]methanol

C12H17NO — CID 59978001

IUPAC[(3S,4S)-4-phenylpiperidin-3-yl]methanol
SMILESOC[C@@H]1CNCC[C@@H]1c1ccccc1
InChIInChI=1S/C12H17NO/c14-9-11-8-13-7-6-12(11)10-4-2-1-3-5-10/h1-5,11-14H,6-9H2/t11-,12+/m0/s1
InChIKeyCCYONUQTZTYVFP-NWDGAFQWSA-N
MW191.27 g/mol
LogP1.37
Rot. Bonds2

About [(3S,4S)-4-phenylpiperidin-3-yl]methanol

[(3S,4S)-4-phenylpiperidin-3-yl]methanol (PubChem CID 59978001) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is [(3S,4S)-4-phenylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-4-phenylpiperidin-3-yl]methanol
PubChem CID59978001
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name[(3S,4S)-4-phenylpiperidin-3-yl]methanol
SMILESOC[C@@H]1CNCC[C@@H]1c1ccccc1
InChIInChI=1S/C12H17NO/c14-9-11-8-13-7-6-12(11)10-4-2-1-3-5-10/h1-5,11-14H,6-9H2/t11-,12+/m0/s1
InChIKeyCCYONUQTZTYVFP-NWDGAFQWSA-N
XLogP1.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-phenylpiperidin-3-yl]methanol?
The IUPAC name of [(3S,4S)-4-phenylpiperidin-3-yl]methanol (CID 59978001) is [(3S,4S)-4-phenylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S,4S)-4-phenylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S,4S)-4-phenylpiperidin-3-yl]methanol is OC[C@@H]1CNCC[C@@H]1c1ccccc1.
What is the InChIKey of [(3S,4S)-4-phenylpiperidin-3-yl]methanol?
The InChIKey is CCYONUQTZTYVFP-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H17NO/c14-9-11-8-13-7-6-12(11)10-4-2-1-3-5-10/h1-5,11-14H,6-9H2/t11-,12+/m0/s1.
What are the key properties of [(3S,4S)-4-phenylpiperidin-3-yl]methanol?
[(3S,4S)-4-phenylpiperidin-3-yl]methanol has a molecular weight of 191.27 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-phenylpiperidin-3-yl]methanol is sourced from PubChem (CID 59978001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).