(2S)-2-(dibenzylamino)-1,1,3-triphenylpropan-1-ol

C35H33NO — CID 134930883

IUPAC(2S)-2-(dibenzylamino)-1,1,3-triphenylpropan-1-ol
SMILESOC(c1ccccc1)(c1ccccc1)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C35H33NO/c37-35(32-22-12-4-13-23-32,33-24-14-5-15-25-33)34(26-29-16-6-1-7-17-29)36(27-30-18-8-2-9-19-30)28-31-20-10-3-11-21-31/h1-25,34,37H,26-28H2/t34-/m0/s1
InChIKeyKQKDFDJQRLNHBC-UMSFTDKQSA-N
MW483.66 g/mol
LogP7.24
Rot. Bonds10

About (2S)-2-(dibenzylamino)-1,1,3-triphenylpropan-1-ol

(2S)-2-(dibenzylamino)-1,1,3-triphenylpropan-1-ol (PubChem CID 134930883) has the molecular formula C35H33NO and a molecular weight of 483.66 g/mol. Its IUPAC name is (2S)-2-(dibenzylamino)-1,1,3-triphenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-(dibenzylamino)-1,1,3-triphenylpropan-1-ol
PubChem CID134930883
Molecular FormulaC35H33NO
Molecular Weight483.66 g/mol
Exact Mass483.26
IUPAC Name(2S)-2-(dibenzylamino)-1,1,3-triphenylpropan-1-ol
SMILESOC(c1ccccc1)(c1ccccc1)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C35H33NO/c37-35(32-22-12-4-13-23-32,33-24-14-5-15-25-33)34(26-29-16-6-1-7-17-29)36(27-30-18-8-2-9-19-30)28-31-20-10-3-11-21-31/h1-25,34,37H,26-28H2/t34-/m0/s1
InChIKeyKQKDFDJQRLNHBC-UMSFTDKQSA-N
XLogP7.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.66
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 9924923
4-Phenyl-1-(1-phenylethyl)piperidin-4-ol
CID 9925737
1-Benzhydryl-4-phenylpiperidin-4-ol
CID 10269001
1-Benzhydryl-4-o-tolylpiperidin-4-ol
CID 20481138
4-Phenyl-1-(1-phenylpropyl)piperidin-4-ol
CID 44426806
4-Phenyl-1-(1-phenylbutyl)piperidin-4-ol
CID 44426807

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dibenzylamino)-1,1,3-triphenylpropan-1-ol?
The IUPAC name of (2S)-2-(dibenzylamino)-1,1,3-triphenylpropan-1-ol (CID 134930883) is (2S)-2-(dibenzylamino)-1,1,3-triphenylpropan-1-ol.
What is the SMILES notation for (2S)-2-(dibenzylamino)-1,1,3-triphenylpropan-1-ol?
The canonical SMILES for (2S)-2-(dibenzylamino)-1,1,3-triphenylpropan-1-ol is OC(c1ccccc1)(c1ccccc1)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-2-(dibenzylamino)-1,1,3-triphenylpropan-1-ol?
The InChIKey is KQKDFDJQRLNHBC-UMSFTDKQSA-N. The full InChI is InChI=1S/C35H33NO/c37-35(32-22-12-4-13-23-32,33-24-14-5-15-25-33)34(26-29-16-6-1-7-17-29)36(27-30-18-8-2-9-19-30)28-31-20-10-3-11-21-31/h1-25,34,37H,26-28H2/t34-/m0/s1.
What are the key properties of (2S)-2-(dibenzylamino)-1,1,3-triphenylpropan-1-ol?
(2S)-2-(dibenzylamino)-1,1,3-triphenylpropan-1-ol has a molecular weight of 483.66 g/mol, XLogP of 7.24, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dibenzylamino)-1,1,3-triphenylpropan-1-ol is sourced from PubChem (CID 134930883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).