(4-benzyl-6,6-dimethylmorpholin-2-yl)methanol

C14H21NO2 — CID 71742813

IUPAC(4-benzyl-6,6-dimethylmorpholin-2-yl)methanol
SMILESCC1(C)CN(Cc2ccccc2)CC(CO)O1
InChIInChI=1S/C14H21NO2/c1-14(2)11-15(9-13(10-16)17-14)8-12-6-4-3-5-7-12/h3-7,13,16H,8-11H2,1-2H3
InChIKeyRKNCXMQRTZZKDM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.66
Rot. Bonds3

About (4-benzyl-6,6-dimethylmorpholin-2-yl)methanol

(4-benzyl-6,6-dimethylmorpholin-2-yl)methanol (PubChem CID 71742813) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (4-benzyl-6,6-dimethylmorpholin-2-yl)methanol.

Molecular Properties

Compound Name(4-benzyl-6,6-dimethylmorpholin-2-yl)methanol
PubChem CID71742813
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(4-benzyl-6,6-dimethylmorpholin-2-yl)methanol
SMILESCC1(C)CN(Cc2ccccc2)CC(CO)O1
InChIInChI=1S/C14H21NO2/c1-14(2)11-15(9-13(10-16)17-14)8-12-6-4-3-5-7-12/h3-7,13,16H,8-11H2,1-2H3
InChIKeyRKNCXMQRTZZKDM-UHFFFAOYSA-N
XLogP1.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-benzyl-6,6-dimethylmorpholin-2-yl)methanol?
The IUPAC name of (4-benzyl-6,6-dimethylmorpholin-2-yl)methanol (CID 71742813) is (4-benzyl-6,6-dimethylmorpholin-2-yl)methanol.
What is the SMILES notation for (4-benzyl-6,6-dimethylmorpholin-2-yl)methanol?
The canonical SMILES for (4-benzyl-6,6-dimethylmorpholin-2-yl)methanol is CC1(C)CN(Cc2ccccc2)CC(CO)O1.
What is the InChIKey of (4-benzyl-6,6-dimethylmorpholin-2-yl)methanol?
The InChIKey is RKNCXMQRTZZKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2)11-15(9-13(10-16)17-14)8-12-6-4-3-5-7-12/h3-7,13,16H,8-11H2,1-2H3.
What are the key properties of (4-benzyl-6,6-dimethylmorpholin-2-yl)methanol?
(4-benzyl-6,6-dimethylmorpholin-2-yl)methanol has a molecular weight of 235.33 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-6,6-dimethylmorpholin-2-yl)methanol is sourced from PubChem (CID 71742813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).