pentyl 4-aminopiperidine-4-carboxylate

C11H22N2O2 — CID 3044671

IUPACpentyl 4-aminopiperidine-4-carboxylate
SMILESCCCCCOC(=O)C1(N)CCNCC1
InChIInChI=1S/C11H22N2O2/c1-2-3-4-9-15-10(14)11(12)5-7-13-8-6-11/h13H,2-9,12H2,1H3
InChIKeyTYXBSZYVESTCNX-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.80
Rot. Bonds5

About pentyl 4-aminopiperidine-4-carboxylate

pentyl 4-aminopiperidine-4-carboxylate (PubChem CID 3044671) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is pentyl 4-aminopiperidine-4-carboxylate.

Molecular Properties

Compound Namepentyl 4-aminopiperidine-4-carboxylate
PubChem CID3044671
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namepentyl 4-aminopiperidine-4-carboxylate
SMILESCCCCCOC(=O)C1(N)CCNCC1
InChIInChI=1S/C11H22N2O2/c1-2-3-4-9-15-10(14)11(12)5-7-13-8-6-11/h13H,2-9,12H2,1H3
InChIKeyTYXBSZYVESTCNX-UHFFFAOYSA-N
XLogP0.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.80
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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Frequently Asked Questions

What is the IUPAC name of pentyl 4-aminopiperidine-4-carboxylate?
The IUPAC name of pentyl 4-aminopiperidine-4-carboxylate (CID 3044671) is pentyl 4-aminopiperidine-4-carboxylate.
What is the SMILES notation for pentyl 4-aminopiperidine-4-carboxylate?
The canonical SMILES for pentyl 4-aminopiperidine-4-carboxylate is CCCCCOC(=O)C1(N)CCNCC1.
What is the InChIKey of pentyl 4-aminopiperidine-4-carboxylate?
The InChIKey is TYXBSZYVESTCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-3-4-9-15-10(14)11(12)5-7-13-8-6-11/h13H,2-9,12H2,1H3.
What are the key properties of pentyl 4-aminopiperidine-4-carboxylate?
pentyl 4-aminopiperidine-4-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 4-aminopiperidine-4-carboxylate is sourced from PubChem (CID 3044671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).