(5-benzylmorpholin-2-yl)methylcarbamic acid;hydrochloride

C13H19ClN2O3 — CID 142750674

IUPAC(5-benzylmorpholin-2-yl)methylcarbamic acid;hydrochloride
SMILESCl.O=C(O)NCC1CNC(Cc2ccccc2)CO1
InChIInChI=1S/C13H18N2O3.ClH/c16-13(17)15-8-12-7-14-11(9-18-12)6-10-4-2-1-3-5-10;/h1-5,11-12,14-15H,6-9H2,(H,16,17);1H
InChIKeyQBKWNNLGBQAXFD-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.28
Rot. Bonds4

About (5-benzylmorpholin-2-yl)methylcarbamic acid;hydrochloride

(5-benzylmorpholin-2-yl)methylcarbamic acid;hydrochloride (PubChem CID 142750674) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is (5-benzylmorpholin-2-yl)methylcarbamic acid;hydrochloride.

Molecular Properties

Compound Name(5-benzylmorpholin-2-yl)methylcarbamic acid;hydrochloride
PubChem CID142750674
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name(5-benzylmorpholin-2-yl)methylcarbamic acid;hydrochloride
SMILESCl.O=C(O)NCC1CNC(Cc2ccccc2)CO1
InChIInChI=1S/C13H18N2O3.ClH/c16-13(17)15-8-12-7-14-11(9-18-12)6-10-4-2-1-3-5-10;/h1-5,11-12,14-15H,6-9H2,(H,16,17);1H
InChIKeyQBKWNNLGBQAXFD-UHFFFAOYSA-N
XLogP1.28
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-benzyl-2-(2,5-dimethylphenyl)morpholine
CID 63261254
[2-(5-benzylmorpholin-2-yl)-1-(4-methoxyphenyl)ethyl]-hydroxy-oxophosphanium
CID 67676337
2-(methoxymethyl)-5-[(4-methylphenyl)methyl]morpholine
CID 145267911
(2R,5S)-5-benzyl-2-[[(4-methoxyphenyl)-methylphosphoryl]oxymethyl]morpholine
CID 67677578
4-[[(3R,6S)-6-[[cyclohexylmethyl(hydroxy)phosphoryl]methyl]morpholin-3-yl]methyl]benzoic acid
CID 67677850
methyl 3-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methylsulfonyl]propanoate
CID 169321080
2-(5-benzylpiperidin-2-yl)ethylurea
CID 142001060
3-[[(3R,6R)-6-[[5-acetamidopentyl(hydroxy)phosphoryl]methyl]morpholin-3-yl]methyl]benzoic acid
CID 67677056
4-[[(3R,6R)-6-(1-hydroxy-2-phenyl-1-phosphorosoethyl)morpholin-3-yl]methyl]benzoic acid
CID 54237645
4-benzyl-1,3-oxazolidine
CID 22719793
ethyl 2-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methoxy]acetate
CID 170364767
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645

Frequently Asked Questions

What is the IUPAC name of (5-benzylmorpholin-2-yl)methylcarbamic acid;hydrochloride?
The IUPAC name of (5-benzylmorpholin-2-yl)methylcarbamic acid;hydrochloride (CID 142750674) is (5-benzylmorpholin-2-yl)methylcarbamic acid;hydrochloride.
What is the SMILES notation for (5-benzylmorpholin-2-yl)methylcarbamic acid;hydrochloride?
The canonical SMILES for (5-benzylmorpholin-2-yl)methylcarbamic acid;hydrochloride is Cl.O=C(O)NCC1CNC(Cc2ccccc2)CO1.
What is the InChIKey of (5-benzylmorpholin-2-yl)methylcarbamic acid;hydrochloride?
The InChIKey is QBKWNNLGBQAXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3.ClH/c16-13(17)15-8-12-7-14-11(9-18-12)6-10-4-2-1-3-5-10;/h1-5,11-12,14-15H,6-9H2,(H,16,17);1H.
What are the key properties of (5-benzylmorpholin-2-yl)methylcarbamic acid;hydrochloride?
(5-benzylmorpholin-2-yl)methylcarbamic acid;hydrochloride has a molecular weight of 286.76 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzylmorpholin-2-yl)methylcarbamic acid;hydrochloride is sourced from PubChem (CID 142750674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).