propan-2-yl 2-(1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-yl)acetate

C24H31NO3 — CID 122174371

IUPACpropan-2-yl 2-(1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-yl)acetate
SMILESCC(C)OC(=O)CC1CC(c2ccccc2)N(Cc2ccccc2)CC1(C)O
InChIInChI=1S/C24H31NO3/c1-18(2)28-23(26)15-21-14-22(20-12-8-5-9-13-20)25(17-24(21,3)27)16-19-10-6-4-7-11-19/h4-13,18,21-22,27H,14-17H2,1-3H3
InChIKeyZSDPWRWFQHLZJJ-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.34
Rot. Bonds6

About propan-2-yl 2-(1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-yl)acetate

propan-2-yl 2-(1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-yl)acetate (PubChem CID 122174371) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is propan-2-yl 2-(1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-yl)acetate
PubChem CID122174371
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Namepropan-2-yl 2-(1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-yl)acetate
SMILESCC(C)OC(=O)CC1CC(c2ccccc2)N(Cc2ccccc2)CC1(C)O
InChIInChI=1S/C24H31NO3/c1-18(2)28-23(26)15-21-14-22(20-12-8-5-9-13-20)25(17-24(21,3)27)16-19-10-6-4-7-11-19/h4-13,18,21-22,27H,14-17H2,1-3H3
InChIKeyZSDPWRWFQHLZJJ-UHFFFAOYSA-N
XLogP4.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-yl)acetate?
The IUPAC name of propan-2-yl 2-(1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-yl)acetate (CID 122174371) is propan-2-yl 2-(1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-yl)acetate?
The canonical SMILES for propan-2-yl 2-(1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-yl)acetate is CC(C)OC(=O)CC1CC(c2ccccc2)N(Cc2ccccc2)CC1(C)O.
What is the InChIKey of propan-2-yl 2-(1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-yl)acetate?
The InChIKey is ZSDPWRWFQHLZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-18(2)28-23(26)15-21-14-22(20-12-8-5-9-13-20)25(17-24(21,3)27)16-19-10-6-4-7-11-19/h4-13,18,21-22,27H,14-17H2,1-3H3.
What are the key properties of propan-2-yl 2-(1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-yl)acetate?
propan-2-yl 2-(1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-yl)acetate has a molecular weight of 381.52 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-yl)acetate is sourced from PubChem (CID 122174371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).