3-[(2S,4S)-2-ethyl-4-[(2S)-piperidin-2-yl]-1,3-dioxolan-2-yl]phenol

C16H23NO3 — CID 15749466

IUPAC3-[(2S,4S)-2-ethyl-4-[(2S)-piperidin-2-yl]-1,3-dioxolan-2-yl]phenol
SMILESCC[C@]1(c2cccc(O)c2)OC[C@H]([C@@H]2CCCCN2)O1
InChIInChI=1S/C16H23NO3/c1-2-16(12-6-5-7-13(18)10-12)19-11-15(20-16)14-8-3-4-9-17-14/h5-7,10,14-15,17-18H,2-4,8-9,11H2,1H3/t14-,15+,16-/m0/s1
InChIKeyUYAARRWROFVOEO-XHSDSOJGSA-N
MW277.36 g/mol
LogP2.51
Rot. Bonds3

About 3-[(2S,4S)-2-ethyl-4-[(2S)-piperidin-2-yl]-1,3-dioxolan-2-yl]phenol

3-[(2S,4S)-2-ethyl-4-[(2S)-piperidin-2-yl]-1,3-dioxolan-2-yl]phenol (PubChem CID 15749466) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-[(2S,4S)-2-ethyl-4-[(2S)-piperidin-2-yl]-1,3-dioxolan-2-yl]phenol.

Molecular Properties

Compound Name3-[(2S,4S)-2-ethyl-4-[(2S)-piperidin-2-yl]-1,3-dioxolan-2-yl]phenol
PubChem CID15749466
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-[(2S,4S)-2-ethyl-4-[(2S)-piperidin-2-yl]-1,3-dioxolan-2-yl]phenol
SMILESCC[C@]1(c2cccc(O)c2)OC[C@H]([C@@H]2CCCCN2)O1
InChIInChI=1S/C16H23NO3/c1-2-16(12-6-5-7-13(18)10-12)19-11-15(20-16)14-8-3-4-9-17-14/h5-7,10,14-15,17-18H,2-4,8-9,11H2,1H3/t14-,15+,16-/m0/s1
InChIKeyUYAARRWROFVOEO-XHSDSOJGSA-N
XLogP2.51
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S,4S)-2-ethyl-4-[(2S)-piperidin-2-yl]-1,3-dioxolan-2-yl]phenol?
The IUPAC name of 3-[(2S,4S)-2-ethyl-4-[(2S)-piperidin-2-yl]-1,3-dioxolan-2-yl]phenol (CID 15749466) is 3-[(2S,4S)-2-ethyl-4-[(2S)-piperidin-2-yl]-1,3-dioxolan-2-yl]phenol.
What is the SMILES notation for 3-[(2S,4S)-2-ethyl-4-[(2S)-piperidin-2-yl]-1,3-dioxolan-2-yl]phenol?
The canonical SMILES for 3-[(2S,4S)-2-ethyl-4-[(2S)-piperidin-2-yl]-1,3-dioxolan-2-yl]phenol is CC[C@]1(c2cccc(O)c2)OC[C@H]([C@@H]2CCCCN2)O1.
What is the InChIKey of 3-[(2S,4S)-2-ethyl-4-[(2S)-piperidin-2-yl]-1,3-dioxolan-2-yl]phenol?
The InChIKey is UYAARRWROFVOEO-XHSDSOJGSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-16(12-6-5-7-13(18)10-12)19-11-15(20-16)14-8-3-4-9-17-14/h5-7,10,14-15,17-18H,2-4,8-9,11H2,1H3/t14-,15+,16-/m0/s1.
What are the key properties of 3-[(2S,4S)-2-ethyl-4-[(2S)-piperidin-2-yl]-1,3-dioxolan-2-yl]phenol?
3-[(2S,4S)-2-ethyl-4-[(2S)-piperidin-2-yl]-1,3-dioxolan-2-yl]phenol has a molecular weight of 277.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,4S)-2-ethyl-4-[(2S)-piperidin-2-yl]-1,3-dioxolan-2-yl]phenol is sourced from PubChem (CID 15749466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).