2-aminoethyl piperidine-1-carboxylate

C8H16N2O2 — CID 58684414

IUPAC2-aminoethyl piperidine-1-carboxylate
SMILESNCCOC(=O)N1CCCCC1
InChIInChI=1S/C8H16N2O2/c9-4-7-12-8(11)10-5-2-1-3-6-10/h1-7,9H2
InChIKeyZIXSVESFJOQEHD-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.57
Rot. Bonds2

About 2-aminoethyl piperidine-1-carboxylate

2-aminoethyl piperidine-1-carboxylate (PubChem CID 58684414) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-aminoethyl piperidine-1-carboxylate.

Molecular Properties

Compound Name2-aminoethyl piperidine-1-carboxylate
PubChem CID58684414
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-aminoethyl piperidine-1-carboxylate
SMILESNCCOC(=O)N1CCCCC1
InChIInChI=1S/C8H16N2O2/c9-4-7-12-8(11)10-5-2-1-3-6-10/h1-7,9H2
InChIKeyZIXSVESFJOQEHD-UHFFFAOYSA-N
XLogP0.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propyl azepane-1-carboxylate
CID 91585333
2-cyclopropylethyl piperidine-1-carboxylate
CID 142778075
ethyl azacycloundecane-1-carboxylate
CID 67670496
3-hydroxypropyl pyrrolidine-1-carboxylate
CID 118095652
fluoromethyl piperidine-1-carboxylate
CID 141168732
3-chloropropyl pyrrolidine-1-carboxylate
CID 103970586
5-bromopentyl piperidine-1-carboxylate
CID 103970657
2-(2-chloroethoxy)ethyl azepane-1-carboxylate
CID 103970627
5-chloropentyl azepane-1-carboxylate
CID 103970757
4-methoxybutyl pyrrolidine-1-carboxylate
CID 172841954
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
prop-2-enyl piperidine-1-carboxylate;hydrochloride
CID 139812322

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl piperidine-1-carboxylate?
The IUPAC name of 2-aminoethyl piperidine-1-carboxylate (CID 58684414) is 2-aminoethyl piperidine-1-carboxylate.
What is the SMILES notation for 2-aminoethyl piperidine-1-carboxylate?
The canonical SMILES for 2-aminoethyl piperidine-1-carboxylate is NCCOC(=O)N1CCCCC1.
What is the InChIKey of 2-aminoethyl piperidine-1-carboxylate?
The InChIKey is ZIXSVESFJOQEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c9-4-7-12-8(11)10-5-2-1-3-6-10/h1-7,9H2.
What are the key properties of 2-aminoethyl piperidine-1-carboxylate?
2-aminoethyl piperidine-1-carboxylate has a molecular weight of 172.23 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl piperidine-1-carboxylate is sourced from PubChem (CID 58684414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).