3-[4-[(1S)-1-hydroxypropyl]-1-methylpiperidin-4-yl]phenol

C15H23NO2 — CID 96588315

IUPAC3-[4-[(1S)-1-hydroxypropyl]-1-methylpiperidin-4-yl]phenol
SMILESCC[C@H](O)C1(c2cccc(O)c2)CCN(C)CC1
InChIInChI=1S/C15H23NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,14,17-18H,3,7-10H2,1-2H3/t14-/m0/s1
InChIKeyCUWNYXLTWXEDNK-AWEZNQCLSA-N
MW249.35 g/mol
LogP2.13
Rot. Bonds3

About 3-[4-[(1S)-1-hydroxypropyl]-1-methylpiperidin-4-yl]phenol

3-[4-[(1S)-1-hydroxypropyl]-1-methylpiperidin-4-yl]phenol (PubChem CID 96588315) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[4-[(1S)-1-hydroxypropyl]-1-methylpiperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[4-[(1S)-1-hydroxypropyl]-1-methylpiperidin-4-yl]phenol
PubChem CID96588315
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[4-[(1S)-1-hydroxypropyl]-1-methylpiperidin-4-yl]phenol
SMILESCC[C@H](O)C1(c2cccc(O)c2)CCN(C)CC1
InChIInChI=1S/C15H23NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,14,17-18H,3,7-10H2,1-2H3/t14-/m0/s1
InChIKeyCUWNYXLTWXEDNK-AWEZNQCLSA-N
XLogP2.13
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1S)-1-hydroxypropyl]-1-methylpiperidin-4-yl]phenol?
The IUPAC name of 3-[4-[(1S)-1-hydroxypropyl]-1-methylpiperidin-4-yl]phenol (CID 96588315) is 3-[4-[(1S)-1-hydroxypropyl]-1-methylpiperidin-4-yl]phenol.
What is the SMILES notation for 3-[4-[(1S)-1-hydroxypropyl]-1-methylpiperidin-4-yl]phenol?
The canonical SMILES for 3-[4-[(1S)-1-hydroxypropyl]-1-methylpiperidin-4-yl]phenol is CC[C@H](O)C1(c2cccc(O)c2)CCN(C)CC1.
What is the InChIKey of 3-[4-[(1S)-1-hydroxypropyl]-1-methylpiperidin-4-yl]phenol?
The InChIKey is CUWNYXLTWXEDNK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,14,17-18H,3,7-10H2,1-2H3/t14-/m0/s1.
What are the key properties of 3-[4-[(1S)-1-hydroxypropyl]-1-methylpiperidin-4-yl]phenol?
3-[4-[(1S)-1-hydroxypropyl]-1-methylpiperidin-4-yl]phenol has a molecular weight of 249.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1S)-1-hydroxypropyl]-1-methylpiperidin-4-yl]phenol is sourced from PubChem (CID 96588315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).