octyl N-(2-piperazin-1-ylethyl)carbamate

C15H31N3O2 — CID 54203670

IUPACoctyl N-(2-piperazin-1-ylethyl)carbamate
SMILESCCCCCCCCOC(=O)NCCN1CCNCC1
InChIInChI=1S/C15H31N3O2/c1-2-3-4-5-6-7-14-20-15(19)17-10-13-18-11-8-16-9-12-18/h16H,2-14H2,1H3,(H,17,19)
InChIKeyPQZYHSKOROAIHK-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.98
Rot. Bonds10

About octyl N-(2-piperazin-1-ylethyl)carbamate

octyl N-(2-piperazin-1-ylethyl)carbamate (PubChem CID 54203670) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is octyl N-(2-piperazin-1-ylethyl)carbamate.

Molecular Properties

Compound Nameoctyl N-(2-piperazin-1-ylethyl)carbamate
PubChem CID54203670
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Nameoctyl N-(2-piperazin-1-ylethyl)carbamate
SMILESCCCCCCCCOC(=O)NCCN1CCNCC1
InChIInChI=1S/C15H31N3O2/c1-2-3-4-5-6-7-14-20-15(19)17-10-13-18-11-8-16-9-12-18/h16H,2-14H2,1H3,(H,17,19)
InChIKeyPQZYHSKOROAIHK-UHFFFAOYSA-N
XLogP1.98
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Carbonic acid, monoamide, N-ethyl-, octyl ester
CID 53683532
Carbonic acid, monoamide, N-ethyl-, decyl ester
CID 86121097
Butyl piperazine-1-carboxylate
CID 21963126
hexadecyl N-(2-morpholinoethyl)carbamate
CID 18968659
hexadecyl N-(2-piperidinoethyl)carbamate
CID 18968674
Octadecyl piperazine-1-carboxylate
CID 19000004
butyl N-(2-piperazin-1-ylethyl)carbamate
CID 22118734
Pentyl 1-piperazinecarboxylate
CID 45140356
Hexyl piperazine-1-carboxylate
CID 45140358
2-(1-acetylpiperidin-2-yl)ethyl N-[2-(dimethylamino)ethyl]carbamate
CID 54115319
Heptan-3-yl piperazine-1-carboxylate
CID 58861606
octyl N-piperidin-3-ylcarbamate
CID 66861057

Frequently Asked Questions

What is the IUPAC name of octyl N-(2-piperazin-1-ylethyl)carbamate?
The IUPAC name of octyl N-(2-piperazin-1-ylethyl)carbamate (CID 54203670) is octyl N-(2-piperazin-1-ylethyl)carbamate.
What is the SMILES notation for octyl N-(2-piperazin-1-ylethyl)carbamate?
The canonical SMILES for octyl N-(2-piperazin-1-ylethyl)carbamate is CCCCCCCCOC(=O)NCCN1CCNCC1.
What is the InChIKey of octyl N-(2-piperazin-1-ylethyl)carbamate?
The InChIKey is PQZYHSKOROAIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-2-3-4-5-6-7-14-20-15(19)17-10-13-18-11-8-16-9-12-18/h16H,2-14H2,1H3,(H,17,19).
What are the key properties of octyl N-(2-piperazin-1-ylethyl)carbamate?
octyl N-(2-piperazin-1-ylethyl)carbamate has a molecular weight of 285.43 g/mol, XLogP of 1.98, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octyl N-(2-piperazin-1-ylethyl)carbamate is sourced from PubChem (CID 54203670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).