butyl N-piperidin-4-yl-N-propylcarbamate

C13H26N2O2 — CID 18677750

IUPACbutyl N-piperidin-4-yl-N-propylcarbamate
SMILESCCCCOC(=O)N(CCC)C1CCNCC1
InChIInChI=1S/C13H26N2O2/c1-3-5-11-17-13(16)15(10-4-2)12-6-8-14-9-7-12/h12,14H,3-11H2,1-2H3
InChIKeyZZOFMHQUMQAKHP-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.39
Rot. Bonds6

About butyl N-piperidin-4-yl-N-propylcarbamate

butyl N-piperidin-4-yl-N-propylcarbamate (PubChem CID 18677750) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is butyl N-piperidin-4-yl-N-propylcarbamate.

Molecular Properties

Compound Namebutyl N-piperidin-4-yl-N-propylcarbamate
PubChem CID18677750
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namebutyl N-piperidin-4-yl-N-propylcarbamate
SMILESCCCCOC(=O)N(CCC)C1CCNCC1
InChIInChI=1S/C13H26N2O2/c1-3-5-11-17-13(16)15(10-4-2)12-6-8-14-9-7-12/h12,14H,3-11H2,1-2H3
InChIKeyZZOFMHQUMQAKHP-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyl 4-(methylamino)piperidine-1-carboxylate
CID 15380702
4-Amino-1-Boc-piperidine
CID 1268291
1-Piperidinecarboxylic acid, 4-(methylamino)-, ethyl ester
CID 11063140
4-(N-Boc-amino)piperidine
CID 723833
4-N-Boc-4-N-Methyl-aminopiperidine
CID 2756806
tert-Butyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 2769591
Ethyl 4-amino-1-piperidinecarboxylate
CID 100867
Ethyl 4-(cyclooctylamino)-1-piperidinecarboxylate
CID 2059342
3-(Dimethylamino)butyl piperidine-1-carboxylate
CID 44589438
3-piperidin-1-ylpropyl N-(3,3-dimethylbutan-2-yl)carbamate
CID 44352410
Butyl 4-aminopiperidine-1-carboxylate
CID 23025360
1,1-Dimethylethyl 4-(formylamino)-1-piperidinecarboxylate
CID 87225995

Frequently Asked Questions

What is the IUPAC name of butyl N-piperidin-4-yl-N-propylcarbamate?
The IUPAC name of butyl N-piperidin-4-yl-N-propylcarbamate (CID 18677750) is butyl N-piperidin-4-yl-N-propylcarbamate.
What is the SMILES notation for butyl N-piperidin-4-yl-N-propylcarbamate?
The canonical SMILES for butyl N-piperidin-4-yl-N-propylcarbamate is CCCCOC(=O)N(CCC)C1CCNCC1.
What is the InChIKey of butyl N-piperidin-4-yl-N-propylcarbamate?
The InChIKey is ZZOFMHQUMQAKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-5-11-17-13(16)15(10-4-2)12-6-8-14-9-7-12/h12,14H,3-11H2,1-2H3.
What are the key properties of butyl N-piperidin-4-yl-N-propylcarbamate?
butyl N-piperidin-4-yl-N-propylcarbamate has a molecular weight of 242.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-piperidin-4-yl-N-propylcarbamate is sourced from PubChem (CID 18677750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).