[(2S)-1-piperidin-1-ylpropan-2-yl] 2,2-diphenylpropanoate

C23H29NO2 — CID 7407978

IUPAC[(2S)-1-piperidin-1-ylpropan-2-yl] 2,2-diphenylpropanoate
SMILESC[C@@H](CN1CCCCC1)OC(=O)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29NO2/c1-19(18-24-16-10-5-11-17-24)26-22(25)23(2,20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-4,6-9,12-15,19H,5,10-11,16-18H2,1-2H3/t19-/m0/s1
InChIKeyJNEYXKOAZVGKBG-IBGZPJMESA-N
MW351.49 g/mol
LogP4.41
Rot. Bonds6

About [(2S)-1-piperidin-1-ylpropan-2-yl] 2,2-diphenylpropanoate

[(2S)-1-piperidin-1-ylpropan-2-yl] 2,2-diphenylpropanoate (PubChem CID 7407978) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is [(2S)-1-piperidin-1-ylpropan-2-yl] 2,2-diphenylpropanoate.

Molecular Properties

Compound Name[(2S)-1-piperidin-1-ylpropan-2-yl] 2,2-diphenylpropanoate
PubChem CID7407978
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name[(2S)-1-piperidin-1-ylpropan-2-yl] 2,2-diphenylpropanoate
SMILESC[C@@H](CN1CCCCC1)OC(=O)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29NO2/c1-19(18-24-16-10-5-11-17-24)26-22(25)23(2,20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-4,6-9,12-15,19H,5,10-11,16-18H2,1-2H3/t19-/m0/s1
InChIKeyJNEYXKOAZVGKBG-IBGZPJMESA-N
XLogP4.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperidin-1-ylpropan-2-yl 2-methylbenzoate
CID 2928894
[(2S)-1-pyrrolidin-1-ylpropan-2-yl] 2-chlorobenzoate
CID 755745
[(2R)-1-piperidin-1-ylpropan-2-yl] 2-iodobenzoate
CID 1327012
1-piperidin-1-ylpropan-2-yl 2-bromobenzoate
CID 2912544
1-[(2R)-2-phenoxypropyl]pyrrolidine
CID 142952831
1-piperidin-1-ylpropan-2-yl 2-methoxybenzoate;hydrochloride
CID 52998166
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
[(2S)-1-piperidin-1-ylpropan-2-yl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 1421128
[2-(azepan-1-yl)-1-phenylethyl] acetate
CID 3115187
benzyl 3-(azocan-1-yl)-2-methylpropanoate
CID 106484232
1-pyrrolidin-1-ylpropan-2-yl 4-methylbenzoate
CID 3152959
1-piperidin-1-ylpropan-2-yl 3-chlorobenzoate
CID 5094446

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-piperidin-1-ylpropan-2-yl] 2,2-diphenylpropanoate?
The IUPAC name of [(2S)-1-piperidin-1-ylpropan-2-yl] 2,2-diphenylpropanoate (CID 7407978) is [(2S)-1-piperidin-1-ylpropan-2-yl] 2,2-diphenylpropanoate.
What is the SMILES notation for [(2S)-1-piperidin-1-ylpropan-2-yl] 2,2-diphenylpropanoate?
The canonical SMILES for [(2S)-1-piperidin-1-ylpropan-2-yl] 2,2-diphenylpropanoate is C[C@@H](CN1CCCCC1)OC(=O)C(C)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-1-piperidin-1-ylpropan-2-yl] 2,2-diphenylpropanoate?
The InChIKey is JNEYXKOAZVGKBG-IBGZPJMESA-N. The full InChI is InChI=1S/C23H29NO2/c1-19(18-24-16-10-5-11-17-24)26-22(25)23(2,20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-4,6-9,12-15,19H,5,10-11,16-18H2,1-2H3/t19-/m0/s1.
What are the key properties of [(2S)-1-piperidin-1-ylpropan-2-yl] 2,2-diphenylpropanoate?
[(2S)-1-piperidin-1-ylpropan-2-yl] 2,2-diphenylpropanoate has a molecular weight of 351.49 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-piperidin-1-ylpropan-2-yl] 2,2-diphenylpropanoate is sourced from PubChem (CID 7407978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).