(4-benzylmorpholin-2-yl)methanol;4-benzyl-1,4-oxazepane

C24H34N2O3 — CID 66663131

IUPAC(4-benzylmorpholin-2-yl)methanol;4-benzyl-1,4-oxazepane
SMILESOCC1CN(Cc2ccccc2)CCO1.c1ccc(CN2CCCOCC2)cc1
InChIInChI=1S/C12H17NO2.C12H17NO/c14-10-12-9-13(6-7-15-12)8-11-4-2-1-3-5-11;1-2-5-12(6-3-1)11-13-7-4-9-14-10-8-13/h1-5,12,14H,6-10H2;1-3,5-6H,4,7-11H2
InChIKeyFDCKGSNIXBGVJJ-UHFFFAOYSA-N
MW398.55 g/mol
LogP2.79
Rot. Bonds5

About (4-benzylmorpholin-2-yl)methanol;4-benzyl-1,4-oxazepane

(4-benzylmorpholin-2-yl)methanol;4-benzyl-1,4-oxazepane (PubChem CID 66663131) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is (4-benzylmorpholin-2-yl)methanol;4-benzyl-1,4-oxazepane.

Molecular Properties

Compound Name(4-benzylmorpholin-2-yl)methanol;4-benzyl-1,4-oxazepane
PubChem CID66663131
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name(4-benzylmorpholin-2-yl)methanol;4-benzyl-1,4-oxazepane
SMILESOCC1CN(Cc2ccccc2)CCO1.c1ccc(CN2CCCOCC2)cc1
InChIInChI=1S/C12H17NO2.C12H17NO/c14-10-12-9-13(6-7-15-12)8-11-4-2-1-3-5-11;1-2-5-12(6-3-1)11-13-7-4-9-14-10-8-13/h1-5,12,14H,6-10H2;1-3,5-6H,4,7-11H2
InChIKeyFDCKGSNIXBGVJJ-UHFFFAOYSA-N
XLogP2.79
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoic acid
CID 81205300
3-(4-benzylmorpholin-2-yl)propan-1-ol
CID 23079673
[4-(pyridin-4-ylmethyl)morpholin-2-yl]methanol
CID 79841050
[4-(1-benzylpiperidin-4-yl)morpholin-2-yl]methanol;ethane
CID 91011302
[4-(1,4-oxazepan-4-ylmethyl)phenyl]methanol
CID 112631236
2-amino-3-(4-benzyl-1,4-oxazepan-2-yl)propanoic acid
CID 106491179
3-[[(2R)-2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]methyl]benzoic acid
CID 99944117
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-(azidomethyl)-4-benzylmorpholine
CID 19848617

Frequently Asked Questions

What is the IUPAC name of (4-benzylmorpholin-2-yl)methanol;4-benzyl-1,4-oxazepane?
The IUPAC name of (4-benzylmorpholin-2-yl)methanol;4-benzyl-1,4-oxazepane (CID 66663131) is (4-benzylmorpholin-2-yl)methanol;4-benzyl-1,4-oxazepane.
What is the SMILES notation for (4-benzylmorpholin-2-yl)methanol;4-benzyl-1,4-oxazepane?
The canonical SMILES for (4-benzylmorpholin-2-yl)methanol;4-benzyl-1,4-oxazepane is OCC1CN(Cc2ccccc2)CCO1.c1ccc(CN2CCCOCC2)cc1.
What is the InChIKey of (4-benzylmorpholin-2-yl)methanol;4-benzyl-1,4-oxazepane?
The InChIKey is FDCKGSNIXBGVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.C12H17NO/c14-10-12-9-13(6-7-15-12)8-11-4-2-1-3-5-11;1-2-5-12(6-3-1)11-13-7-4-9-14-10-8-13/h1-5,12,14H,6-10H2;1-3,5-6H,4,7-11H2.
What are the key properties of (4-benzylmorpholin-2-yl)methanol;4-benzyl-1,4-oxazepane?
(4-benzylmorpholin-2-yl)methanol;4-benzyl-1,4-oxazepane has a molecular weight of 398.55 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylmorpholin-2-yl)methanol;4-benzyl-1,4-oxazepane is sourced from PubChem (CID 66663131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).