benzyl N-(morpholin-3-ylmethyl)carbamate;hydrochloride

C13H19ClN2O3 — CID 137346986

IUPACbenzyl N-(morpholin-3-ylmethyl)carbamate;hydrochloride
SMILESCl.O=C(NCC1COCCN1)OCc1ccccc1
InChIInChI=1S/C13H18N2O3.ClH/c16-13(15-8-12-10-17-7-6-14-12)18-9-11-4-2-1-3-5-11;/h1-5,12,14H,6-10H2,(H,15,16);1H
InChIKeyAHVMCFXCPOWMEN-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.32
Rot. Bonds4

About benzyl N-(morpholin-3-ylmethyl)carbamate;hydrochloride

benzyl N-(morpholin-3-ylmethyl)carbamate;hydrochloride (PubChem CID 137346986) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is benzyl N-(morpholin-3-ylmethyl)carbamate;hydrochloride.

Molecular Properties

Compound Namebenzyl N-(morpholin-3-ylmethyl)carbamate;hydrochloride
PubChem CID137346986
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Namebenzyl N-(morpholin-3-ylmethyl)carbamate;hydrochloride
SMILESCl.O=C(NCC1COCCN1)OCc1ccccc1
InChIInChI=1S/C13H18N2O3.ClH/c16-13(15-8-12-10-17-7-6-14-12)18-9-11-4-2-1-3-5-11;/h1-5,12,14H,6-10H2,(H,15,16);1H
InChIKeyAHVMCFXCPOWMEN-UHFFFAOYSA-N
XLogP1.32
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(1,4-oxazepan-6-ylmethyl)carbamate
CID 130114802
benzyl (3S)-morpholine-3-carboxylate;hydrochloride
CID 46839500
benzyl (3R)-morpholine-3-carboxylate;hydrochloride
CID 46839509
benzyl N-(oxetan-3-ylmethyl)carbamate
CID 155920910
N-(morpholin-3-ylmethyl)-4-phenylbutanamide
CID 103548407
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]carbamate
CID 70733572
benzyl N-[[(2R,5S)-5-methylpiperidin-2-yl]methyl]carbamate
CID 125117304
2-hydroxy-N-(morpholin-3-ylmethyl)-2-phenylacetamide
CID 103548723
benzyl N-(1,4-dioxepan-6-yl)carbamate
CID 131219269
benzyl N-[[(2R)-morpholin-2-yl]methyl]carbamate
CID 53338708
morpholin-3-ylmethylurea
CID 103548775

Frequently Asked Questions

What is the IUPAC name of benzyl N-(morpholin-3-ylmethyl)carbamate;hydrochloride?
The IUPAC name of benzyl N-(morpholin-3-ylmethyl)carbamate;hydrochloride (CID 137346986) is benzyl N-(morpholin-3-ylmethyl)carbamate;hydrochloride.
What is the SMILES notation for benzyl N-(morpholin-3-ylmethyl)carbamate;hydrochloride?
The canonical SMILES for benzyl N-(morpholin-3-ylmethyl)carbamate;hydrochloride is Cl.O=C(NCC1COCCN1)OCc1ccccc1.
What is the InChIKey of benzyl N-(morpholin-3-ylmethyl)carbamate;hydrochloride?
The InChIKey is AHVMCFXCPOWMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3.ClH/c16-13(15-8-12-10-17-7-6-14-12)18-9-11-4-2-1-3-5-11;/h1-5,12,14H,6-10H2,(H,15,16);1H.
What are the key properties of benzyl N-(morpholin-3-ylmethyl)carbamate;hydrochloride?
benzyl N-(morpholin-3-ylmethyl)carbamate;hydrochloride has a molecular weight of 286.76 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(morpholin-3-ylmethyl)carbamate;hydrochloride is sourced from PubChem (CID 137346986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).