butyl 4-(cyclopropylamino)piperidine-1-carboxylate

C13H24N2O2 — CID 151751894

IUPACbutyl 4-(cyclopropylamino)piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(NC2CC2)CC1
InChIInChI=1S/C13H24N2O2/c1-2-3-10-17-13(16)15-8-6-12(7-9-15)14-11-4-5-11/h11-12,14H,2-10H2,1H3
InChIKeyROSQZUGIIBJAGM-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.14
Rot. Bonds5

About butyl 4-(cyclopropylamino)piperidine-1-carboxylate

butyl 4-(cyclopropylamino)piperidine-1-carboxylate (PubChem CID 151751894) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is butyl 4-(cyclopropylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-(cyclopropylamino)piperidine-1-carboxylate
PubChem CID151751894
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namebutyl 4-(cyclopropylamino)piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(NC2CC2)CC1
InChIInChI=1S/C13H24N2O2/c1-2-3-10-17-13(16)15-8-6-12(7-9-15)14-11-4-5-11/h11-12,14H,2-10H2,1H3
InChIKeyROSQZUGIIBJAGM-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.14
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

butyl 4-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
CID 108563148
butyl aziridine-1-carboxylate
CID 12641
butyl 4-bromopiperidine-1-carboxylate
CID 21219163
butyl 3-(ethylamino)pyrrolidine-1-carboxylate
CID 69158445
butyl 4-[(2-cyanoacetyl)amino]piperidine-1-carboxylate
CID 108558979
butyl 4-(3-iodopropyl)piperidine-1-carboxylate
CID 151178027
2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316
ethyl 4-[(4-carbamoylcyclohexyl)amino]piperidine-1-carboxylate
CID 43791646
butyl 5-methyl-1,4-diazepane-1-carboxylate
CID 82241789
butyl 4-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxylate
CID 70848394
butyl 3-(methylamino)piperidine-1-carboxylate
CID 175723002
butyl 4-carbamimidoylpiperidine-1-carboxylate
CID 57232274

Frequently Asked Questions

What is the IUPAC name of butyl 4-(cyclopropylamino)piperidine-1-carboxylate?
The IUPAC name of butyl 4-(cyclopropylamino)piperidine-1-carboxylate (CID 151751894) is butyl 4-(cyclopropylamino)piperidine-1-carboxylate.
What is the SMILES notation for butyl 4-(cyclopropylamino)piperidine-1-carboxylate?
The canonical SMILES for butyl 4-(cyclopropylamino)piperidine-1-carboxylate is CCCCOC(=O)N1CCC(NC2CC2)CC1.
What is the InChIKey of butyl 4-(cyclopropylamino)piperidine-1-carboxylate?
The InChIKey is ROSQZUGIIBJAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-3-10-17-13(16)15-8-6-12(7-9-15)14-11-4-5-11/h11-12,14H,2-10H2,1H3.
What are the key properties of butyl 4-(cyclopropylamino)piperidine-1-carboxylate?
butyl 4-(cyclopropylamino)piperidine-1-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(cyclopropylamino)piperidine-1-carboxylate is sourced from PubChem (CID 151751894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).