3-(2-phenylethyl)piperidin-3-ol

C13H19NO — CID 63585877

IUPAC3-(2-phenylethyl)piperidin-3-ol
SMILESOC1(CCc2ccccc2)CCCNC1
InChIInChI=1S/C13H19NO/c15-13(8-4-10-14-11-13)9-7-12-5-2-1-3-6-12/h1-3,5-6,14-15H,4,7-11H2
InChIKeyVDJQZFHZIAWZAZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.73
Rot. Bonds3

About 3-(2-phenylethyl)piperidin-3-ol

3-(2-phenylethyl)piperidin-3-ol (PubChem CID 63585877) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(2-phenylethyl)piperidin-3-ol.

Molecular Properties

Compound Name3-(2-phenylethyl)piperidin-3-ol
PubChem CID63585877
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-(2-phenylethyl)piperidin-3-ol
SMILESOC1(CCc2ccccc2)CCCNC1
InChIInChI=1S/C13H19NO/c15-13(8-4-10-14-11-13)9-7-12-5-2-1-3-6-12/h1-3,5-6,14-15H,4,7-11H2
InChIKeyVDJQZFHZIAWZAZ-UHFFFAOYSA-N
XLogP1.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)piperidin-3-ol?
The IUPAC name of 3-(2-phenylethyl)piperidin-3-ol (CID 63585877) is 3-(2-phenylethyl)piperidin-3-ol.
What is the SMILES notation for 3-(2-phenylethyl)piperidin-3-ol?
The canonical SMILES for 3-(2-phenylethyl)piperidin-3-ol is OC1(CCc2ccccc2)CCCNC1.
What is the InChIKey of 3-(2-phenylethyl)piperidin-3-ol?
The InChIKey is VDJQZFHZIAWZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c15-13(8-4-10-14-11-13)9-7-12-5-2-1-3-6-12/h1-3,5-6,14-15H,4,7-11H2.
What are the key properties of 3-(2-phenylethyl)piperidin-3-ol?
3-(2-phenylethyl)piperidin-3-ol has a molecular weight of 205.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)piperidin-3-ol is sourced from PubChem (CID 63585877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).