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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Launch Full Analysis

Related Compounds

7-Hydroxy-8-methyl-3-phenyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
CID 44322076
ethyl (3S,4R,5S)-1-benzyl-5-hydroxy-2-oxo-4-phenylpiperidine-3-carboxylate
CID 127052312
ethyl 3-[(2R,5S)-9-benzyl-1-oxa-9-azaspiro[4.5]decan-2-yl]propanoate
CID 60160418
2-[(2S,4R)-1-[(S)-oxolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetic acid
CID 57878535
2-[(2S,4R)-1-[(1S)-2-ethoxy-1-[4-(trifluoromethyl)phenyl]propyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetic acid
CID 57987344
2-[(2R,4S)-1-[(4-propan-2-ylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetic acid
CID 57987513
methyl 2-[(2S,4R)-1-[2-ethoxy-1-[4-(trifluoromethyl)phenyl]propyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate
CID 57987542
{(2s,4r)-1-{(1r)-4-Methoxy-1-[4-(trifluoromethyl)phenyl]butyl}-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl}acetic acid
CID 57987584
{(2S,4R)-1-[(1R)-1-(Isopropoxymethyl)-4-methylpentyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl}acetic acid
CID 59201199
{(2S,4R)-1-[(1R)-1-(Hydroxymethyl)-4-methylpentyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl}acetic acid
CID 59201214
{(2S,4R)-1-{(1R)-1-[(Difluoromethoxy)methyl]-4-methylpentyl}-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl}acetic acid
CID 59201245
2-[(2S,4R)-1-[(2R)-5-methyl-1-(oxan-4-yl)hexan-2-yl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]propanoic acid
CID 67428298

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).