butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate

C17H32N2O2 — CID 151391297

IUPACbutyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(CCC2CCNCC2)CC1
InChIInChI=1S/C17H32N2O2/c1-2-3-14-21-17(20)19-12-8-16(9-13-19)5-4-15-6-10-18-11-7-15/h15-16,18H,2-14H2,1H3
InChIKeyOUMQGOHXSVCUOB-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.41
Rot. Bonds6

About butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate

butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate (PubChem CID 151391297) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate
PubChem CID151391297
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Namebutyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(CCC2CCNCC2)CC1
InChIInChI=1S/C17H32N2O2/c1-2-3-14-21-17(20)19-12-8-16(9-13-19)5-4-15-6-10-18-11-7-15/h15-16,18H,2-14H2,1H3
InChIKeyOUMQGOHXSVCUOB-UHFFFAOYSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.41
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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Frequently Asked Questions

What is the IUPAC name of butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate?
The IUPAC name of butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate (CID 151391297) is butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate.
What is the SMILES notation for butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate?
The canonical SMILES for butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate is CCCCOC(=O)N1CCC(CCC2CCNCC2)CC1.
What is the InChIKey of butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate?
The InChIKey is OUMQGOHXSVCUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-2-3-14-21-17(20)19-12-8-16(9-13-19)5-4-15-6-10-18-11-7-15/h15-16,18H,2-14H2,1H3.
What are the key properties of butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate?
butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate is sourced from PubChem (CID 151391297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).