[4-(morpholin-4-ylmethyl)phenyl] carbamate

C12H16N2O3 — CID 175493722

IUPAC[4-(morpholin-4-ylmethyl)phenyl] carbamate
SMILESNC(=O)Oc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C12H16N2O3/c13-12(15)17-11-3-1-10(2-4-11)9-14-5-7-16-8-6-14/h1-4H,5-9H2,(H2,13,15)
InChIKeyHXYCSTXWJBVDOE-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.98
Rot. Bonds3

About [4-(morpholin-4-ylmethyl)phenyl] carbamate

[4-(morpholin-4-ylmethyl)phenyl] carbamate (PubChem CID 175493722) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is [4-(morpholin-4-ylmethyl)phenyl] carbamate.

Molecular Properties

Compound Name[4-(morpholin-4-ylmethyl)phenyl] carbamate
PubChem CID175493722
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name[4-(morpholin-4-ylmethyl)phenyl] carbamate
SMILESNC(=O)Oc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C12H16N2O3/c13-12(15)17-11-3-1-10(2-4-11)9-14-5-7-16-8-6-14/h1-4H,5-9H2,(H2,13,15)
InChIKeyHXYCSTXWJBVDOE-UHFFFAOYSA-N
XLogP0.98
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(morpholin-4-ylmethyl)phenoxy]acetic acid;hydrochloride
CID 46736007
[4-(morpholin-4-ylmethyl)-2-nitrophenyl] carbamate
CID 175104763
CID 59303659
CID 59303659
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethanehydrazonoyl]phenyl] benzoate
CID 22300327
2-[4-(morpholin-4-ylmethyl)phenyl]guanidine
CID 68861466
amino-[4-(morpholin-4-ylmethyl)phenyl]carbamic acid
CID 175714348
(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724233
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724227
N,N-dimethyl-4-(morpholin-4-ylmethyl)benzamide
CID 43918660
2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride
CID 67030384

Frequently Asked Questions

What is the IUPAC name of [4-(morpholin-4-ylmethyl)phenyl] carbamate?
The IUPAC name of [4-(morpholin-4-ylmethyl)phenyl] carbamate (CID 175493722) is [4-(morpholin-4-ylmethyl)phenyl] carbamate.
What is the SMILES notation for [4-(morpholin-4-ylmethyl)phenyl] carbamate?
The canonical SMILES for [4-(morpholin-4-ylmethyl)phenyl] carbamate is NC(=O)Oc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of [4-(morpholin-4-ylmethyl)phenyl] carbamate?
The InChIKey is HXYCSTXWJBVDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c13-12(15)17-11-3-1-10(2-4-11)9-14-5-7-16-8-6-14/h1-4H,5-9H2,(H2,13,15).
What are the key properties of [4-(morpholin-4-ylmethyl)phenyl] carbamate?
[4-(morpholin-4-ylmethyl)phenyl] carbamate has a molecular weight of 236.27 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(morpholin-4-ylmethyl)phenyl] carbamate is sourced from PubChem (CID 175493722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).