piperazin-2-ylmethyl N-butylcarbamate

C10H21N3O2 — CID 11173728

IUPACpiperazin-2-ylmethyl N-butylcarbamate
SMILESCCCCNC(=O)OCC1CNCCN1
InChIInChI=1S/C10H21N3O2/c1-2-3-4-13-10(14)15-8-9-7-11-5-6-12-9/h9,11-12H,2-8H2,1H3,(H,13,14)
InChIKeyGOZUOIGFCJENPZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.07
Rot. Bonds5

About piperazin-2-ylmethyl N-butylcarbamate

piperazin-2-ylmethyl N-butylcarbamate (PubChem CID 11173728) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is piperazin-2-ylmethyl N-butylcarbamate.

Molecular Properties

Compound Namepiperazin-2-ylmethyl N-butylcarbamate
PubChem CID11173728
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Namepiperazin-2-ylmethyl N-butylcarbamate
SMILESCCCCNC(=O)OCC1CNCCN1
InChIInChI=1S/C10H21N3O2/c1-2-3-4-13-10(14)15-8-9-7-11-5-6-12-9/h9,11-12H,2-8H2,1H3,(H,13,14)
InChIKeyGOZUOIGFCJENPZ-UHFFFAOYSA-N
XLogP0.07
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

piperidin-2-ylmethyl N-butylcarbamate
CID 79337301
1,4,7,10,13-pentazacyclopentadec-2-ylmethyl acetate
CID 101060492
1,4,7,10,13,16-hexazacyclooctadec-2-ylmethyl acetate
CID 101060497
2-pyrrolidin-3-ylethyl N-butylcarbamate
CID 114796626
piperidin-3-yl N-butylcarbamate
CID 68747208
[(3S)-piperidin-3-yl] N-butylcarbamate
CID 79346387
(2R)-2-butylpiperazine
CID 11182666
aminomethyl N-butylcarbamate
CID 139491046
ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate
CID 108888216
oxiran-2-ylmethyl N-decylcarbamate
CID 102421283
1-butyl-3-(pyrrolidin-2-ylmethyl)urea
CID 62540044
2-octadecylpiperazine
CID 155671137

Frequently Asked Questions

What is the IUPAC name of piperazin-2-ylmethyl N-butylcarbamate?
The IUPAC name of piperazin-2-ylmethyl N-butylcarbamate (CID 11173728) is piperazin-2-ylmethyl N-butylcarbamate.
What is the SMILES notation for piperazin-2-ylmethyl N-butylcarbamate?
The canonical SMILES for piperazin-2-ylmethyl N-butylcarbamate is CCCCNC(=O)OCC1CNCCN1.
What is the InChIKey of piperazin-2-ylmethyl N-butylcarbamate?
The InChIKey is GOZUOIGFCJENPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-2-3-4-13-10(14)15-8-9-7-11-5-6-12-9/h9,11-12H,2-8H2,1H3,(H,13,14).
What are the key properties of piperazin-2-ylmethyl N-butylcarbamate?
piperazin-2-ylmethyl N-butylcarbamate has a molecular weight of 215.30 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-2-ylmethyl N-butylcarbamate is sourced from PubChem (CID 11173728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).