4-[(1S,2R)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol

C21H27NO2 — CID 11198145

IUPAC4-[(1S,2R)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
SMILESC[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m1/s1
InChIKeyUYNVMODNBIQBMV-IIBYNOLFSA-N
MW325.45 g/mol
LogP3.77
Rot. Bonds5

About 4-[(1S,2R)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol

4-[(1S,2R)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol (PubChem CID 11198145) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 4-[(1S,2R)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol.

Molecular Properties

Compound Name4-[(1S,2R)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
PubChem CID11198145
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name4-[(1S,2R)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
SMILESC[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m1/s1
InChIKeyUYNVMODNBIQBMV-IIBYNOLFSA-N
XLogP3.77
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol?
The IUPAC name of 4-[(1S,2R)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol (CID 11198145) is 4-[(1S,2R)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol.
What is the SMILES notation for 4-[(1S,2R)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol?
The canonical SMILES for 4-[(1S,2R)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol is C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-[(1S,2R)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol?
The InChIKey is UYNVMODNBIQBMV-IIBYNOLFSA-N. The full InChI is InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m1/s1.
What are the key properties of 4-[(1S,2R)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol?
4-[(1S,2R)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol has a molecular weight of 325.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol is sourced from PubChem (CID 11198145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).