1-[(2S)-4-benzyl-5,5-dimethylmorpholin-2-yl]-2,2-dimethylpropan-1-ol

C18H29NO2 — CID 162723839

IUPAC1-[(2S)-4-benzyl-5,5-dimethylmorpholin-2-yl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)[C@@H]1CN(Cc2ccccc2)C(C)(C)CO1
InChIInChI=1S/C18H29NO2/c1-17(2,3)16(20)15-12-19(18(4,5)13-21-15)11-14-9-7-6-8-10-14/h6-10,15-16,20H,11-13H2,1-5H3/t15-,16?/m0/s1
InChIKeyPKAMTVXGXAOBJC-VYRBHSGPSA-N
MW291.43 g/mol
LogP3.07
Rot. Bonds3

About 1-[(2S)-4-benzyl-5,5-dimethylmorpholin-2-yl]-2,2-dimethylpropan-1-ol

1-[(2S)-4-benzyl-5,5-dimethylmorpholin-2-yl]-2,2-dimethylpropan-1-ol (PubChem CID 162723839) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 1-[(2S)-4-benzyl-5,5-dimethylmorpholin-2-yl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-[(2S)-4-benzyl-5,5-dimethylmorpholin-2-yl]-2,2-dimethylpropan-1-ol
PubChem CID162723839
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name1-[(2S)-4-benzyl-5,5-dimethylmorpholin-2-yl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)[C@@H]1CN(Cc2ccccc2)C(C)(C)CO1
InChIInChI=1S/C18H29NO2/c1-17(2,3)16(20)15-12-19(18(4,5)13-21-15)11-14-9-7-6-8-10-14/h6-10,15-16,20H,11-13H2,1-5H3/t15-,16?/m0/s1
InChIKeyPKAMTVXGXAOBJC-VYRBHSGPSA-N
XLogP3.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzyl-5,5-dimethylmorpholin-2-yl) ethanesulfonate
CID 175064868
methyl (4-benzyl-5,5-dimethylmorpholin-2-yl)methanesulfonate
CID 175064867
1-benzyl-3-tert-butyl-2,2-dimethylazetidine
CID 563397
2-benzyl-1-methyl-2-azabicyclo[2.1.1]hexane
CID 11389846
(5S)-1-benzyl-2,2,5-trimethylpiperazine
CID 94985399
(5R)-1-benzyl-2,2,5-trimethylpiperazine
CID 94985398
(5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine
CID 129371290
1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
2-(1-benzyl-6,6-dimethylpiperidin-3-yl)ethanol
CID 117021321
trans-(1S,2S)-2-[(1R)-1-hydroxy-2,2-dimethylpropyl]-1-(2-phenylethyl)cyclopropan-1-ol
CID 101047901
2-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)ethanamine
CID 117018668
(2S)-2,4-dibenzyl-5,5-dimethylpiperazine-1-carboxylic acid
CID 90977597

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-benzyl-5,5-dimethylmorpholin-2-yl]-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-[(2S)-4-benzyl-5,5-dimethylmorpholin-2-yl]-2,2-dimethylpropan-1-ol (CID 162723839) is 1-[(2S)-4-benzyl-5,5-dimethylmorpholin-2-yl]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-[(2S)-4-benzyl-5,5-dimethylmorpholin-2-yl]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-[(2S)-4-benzyl-5,5-dimethylmorpholin-2-yl]-2,2-dimethylpropan-1-ol is CC(C)(C)C(O)[C@@H]1CN(Cc2ccccc2)C(C)(C)CO1.
What is the InChIKey of 1-[(2S)-4-benzyl-5,5-dimethylmorpholin-2-yl]-2,2-dimethylpropan-1-ol?
The InChIKey is PKAMTVXGXAOBJC-VYRBHSGPSA-N. The full InChI is InChI=1S/C18H29NO2/c1-17(2,3)16(20)15-12-19(18(4,5)13-21-15)11-14-9-7-6-8-10-14/h6-10,15-16,20H,11-13H2,1-5H3/t15-,16?/m0/s1.
What are the key properties of 1-[(2S)-4-benzyl-5,5-dimethylmorpholin-2-yl]-2,2-dimethylpropan-1-ol?
1-[(2S)-4-benzyl-5,5-dimethylmorpholin-2-yl]-2,2-dimethylpropan-1-ol has a molecular weight of 291.43 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-benzyl-5,5-dimethylmorpholin-2-yl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 162723839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).