[(3S)-1-benzyl-3-(dibenzylamino)pyrrolidin-3-yl]methanol

C26H30N2O — CID 54376302

IUPAC[(3S)-1-benzyl-3-(dibenzylamino)pyrrolidin-3-yl]methanol
SMILESOC[C@]1(N(Cc2ccccc2)Cc2ccccc2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C26H30N2O/c29-22-26(16-17-27(21-26)18-23-10-4-1-5-11-23)28(19-24-12-6-2-7-13-24)20-25-14-8-3-9-15-25/h1-15,29H,16-22H2/t26-/m0/s1
InChIKeyUWSTYYDFNOHGRI-SANMLTNESA-N
MW386.54 g/mol
LogP4.33
Rot. Bonds8

About [(3S)-1-benzyl-3-(dibenzylamino)pyrrolidin-3-yl]methanol

[(3S)-1-benzyl-3-(dibenzylamino)pyrrolidin-3-yl]methanol (PubChem CID 54376302) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is [(3S)-1-benzyl-3-(dibenzylamino)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-benzyl-3-(dibenzylamino)pyrrolidin-3-yl]methanol
PubChem CID54376302
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name[(3S)-1-benzyl-3-(dibenzylamino)pyrrolidin-3-yl]methanol
SMILESOC[C@]1(N(Cc2ccccc2)Cc2ccccc2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C26H30N2O/c29-22-26(16-17-27(21-26)18-23-10-4-1-5-11-23)28(19-24-12-6-2-7-13-24)20-25-14-8-3-9-15-25/h1-15,29H,16-22H2/t26-/m0/s1
InChIKeyUWSTYYDFNOHGRI-SANMLTNESA-N
XLogP4.33
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-benzyl-3-(diethylamino)pyrrolidin-3-yl]acetic acid
CID 64529144
N,1-dibenzyl-4-(fluoromethyl)-N-methylpiperidin-4-amine
CID 54229250
[3-(dimethylamino)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 117012382
[(3S)-3-amino-1-benzylpyrrolidin-3-yl]methanol
CID 93087782
1-benzyl-3-(fluoromethyl)pyrrolidine-3-carboxylic acid
CID 19691457
1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol
CID 80605715
(1-benzyl-3-methoxypyrrolidin-3-yl)methanol
CID 19382171
3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpyrrolidin-3-amine
CID 43272771
3-(aminomethyl)-1-benzyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine
CID 61427796
3-(aminomethyl)-1-benzyl-N-methyl-N-pentylpyrrolidin-3-amine
CID 43294664
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
3-(aminomethyl)-1-benzyl-N-(2-ethoxyethyl)-N-methylpyrrolidin-3-amine
CID 81035394

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-benzyl-3-(dibenzylamino)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S)-1-benzyl-3-(dibenzylamino)pyrrolidin-3-yl]methanol (CID 54376302) is [(3S)-1-benzyl-3-(dibenzylamino)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-benzyl-3-(dibenzylamino)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-benzyl-3-(dibenzylamino)pyrrolidin-3-yl]methanol is OC[C@]1(N(Cc2ccccc2)Cc2ccccc2)CCN(Cc2ccccc2)C1.
What is the InChIKey of [(3S)-1-benzyl-3-(dibenzylamino)pyrrolidin-3-yl]methanol?
The InChIKey is UWSTYYDFNOHGRI-SANMLTNESA-N. The full InChI is InChI=1S/C26H30N2O/c29-22-26(16-17-27(21-26)18-23-10-4-1-5-11-23)28(19-24-12-6-2-7-13-24)20-25-14-8-3-9-15-25/h1-15,29H,16-22H2/t26-/m0/s1.
What are the key properties of [(3S)-1-benzyl-3-(dibenzylamino)pyrrolidin-3-yl]methanol?
[(3S)-1-benzyl-3-(dibenzylamino)pyrrolidin-3-yl]methanol has a molecular weight of 386.54 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-benzyl-3-(dibenzylamino)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 54376302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).