1-(4-benzylmorpholin-2-yl)pentan-2-ol

C16H25NO2 — CID 141115853

IUPAC1-(4-benzylmorpholin-2-yl)pentan-2-ol
SMILESCCCC(O)CC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C16H25NO2/c1-2-6-15(18)11-16-13-17(9-10-19-16)12-14-7-4-3-5-8-14/h3-5,7-8,15-16,18H,2,6,9-13H2,1H3
InChIKeyXEPKRSHOORZTOE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.44
Rot. Bonds6

About 1-(4-benzylmorpholin-2-yl)pentan-2-ol

1-(4-benzylmorpholin-2-yl)pentan-2-ol (PubChem CID 141115853) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(4-benzylmorpholin-2-yl)pentan-2-ol.

Molecular Properties

Compound Name1-(4-benzylmorpholin-2-yl)pentan-2-ol
PubChem CID141115853
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(4-benzylmorpholin-2-yl)pentan-2-ol
SMILESCCCC(O)CC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C16H25NO2/c1-2-6-15(18)11-16-13-17(9-10-19-16)12-14-7-4-3-5-8-14/h3-5,7-8,15-16,18H,2,6,9-13H2,1H3
InChIKeyXEPKRSHOORZTOE-UHFFFAOYSA-N
XLogP2.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide
CID 111539052
3-(4-benzylmorpholin-2-yl)propan-1-ol
CID 23079673
2-amino-3-(4-benzyl-1,4-oxazepan-2-yl)propanoic acid
CID 106491179
1-(4-benzylmorpholin-2-yl)-N-iodomethanamine
CID 163437962
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
2-(4-benzylmorpholin-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111540025
(2R)-2-[[2-[(2S)-4-benzylmorpholin-2-yl]acetyl]amino]-3-methylbutanoic acid
CID 124681649
2-(azidomethyl)-4-benzylmorpholine
CID 19848617
(R)-[(2S)-4-benzylmorpholin-2-yl]-phenylmethanol
CID 58997973
(R)-[(2R)-4-benzylmorpholin-2-yl]-phenylmethanol
CID 58997974

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylmorpholin-2-yl)pentan-2-ol?
The IUPAC name of 1-(4-benzylmorpholin-2-yl)pentan-2-ol (CID 141115853) is 1-(4-benzylmorpholin-2-yl)pentan-2-ol.
What is the SMILES notation for 1-(4-benzylmorpholin-2-yl)pentan-2-ol?
The canonical SMILES for 1-(4-benzylmorpholin-2-yl)pentan-2-ol is CCCC(O)CC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 1-(4-benzylmorpholin-2-yl)pentan-2-ol?
The InChIKey is XEPKRSHOORZTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-6-15(18)11-16-13-17(9-10-19-16)12-14-7-4-3-5-8-14/h3-5,7-8,15-16,18H,2,6,9-13H2,1H3.
What are the key properties of 1-(4-benzylmorpholin-2-yl)pentan-2-ol?
1-(4-benzylmorpholin-2-yl)pentan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylmorpholin-2-yl)pentan-2-ol is sourced from PubChem (CID 141115853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).