(3-aminopiperidin-4-yl) nonanoate

C14H28N2O2 — CID 166978005

IUPAC(3-aminopiperidin-4-yl) nonanoate
SMILESCCCCCCCCC(=O)OC1CCNCC1N
InChIInChI=1S/C14H28N2O2/c1-2-3-4-5-6-7-8-14(17)18-13-9-10-16-11-12(13)15/h12-13,16H,2-11,15H2,1H3
InChIKeyPZBJUPSUJUNLJQ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.97
Rot. Bonds8

About (3-aminopiperidin-4-yl) nonanoate

(3-aminopiperidin-4-yl) nonanoate (PubChem CID 166978005) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (3-aminopiperidin-4-yl) nonanoate.

Molecular Properties

Compound Name(3-aminopiperidin-4-yl) nonanoate
PubChem CID166978005
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(3-aminopiperidin-4-yl) nonanoate
SMILESCCCCCCCCC(=O)OC1CCNCC1N
InChIInChI=1S/C14H28N2O2/c1-2-3-4-5-6-7-8-14(17)18-13-9-10-16-11-12(13)15/h12-13,16H,2-11,15H2,1H3
InChIKeyPZBJUPSUJUNLJQ-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.97
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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Related Compounds

piperidin-4-yl pentanoate
CID 45091374
hexadecyl (2S)-3-hexadecanoyloxypyrrolidine-2-carboxylate
CID 67229555
cyclopropyl decanoate
CID 154321154
(3-fluoropiperidin-4-yl) butanoate
CID 174445737
[2-octanoyloxy-3-(octanoyloxymethyl)cyclohexyl]methyl octanoate
CID 102393975
(4-docosanoyloxyoxolan-3-yl) docosanoate
CID 22892352
(3-nonanoyloxycyclohexyl) nonanoate
CID 74221302
[(1R,2R)-2-hydroxycyclohexyl] decanoate
CID 122221487
cyclobutyl pentadecanoate
CID 46229794
[(1S,2S)-2-(octanoyloxymethyl)cyclohexyl]methyl octanoate
CID 10862202
piperidin-2-yl octadecanoate
CID 54524837
(2-methoxycyclohexyl) hexanoate
CID 78887524

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-4-yl) nonanoate?
The IUPAC name of (3-aminopiperidin-4-yl) nonanoate (CID 166978005) is (3-aminopiperidin-4-yl) nonanoate.
What is the SMILES notation for (3-aminopiperidin-4-yl) nonanoate?
The canonical SMILES for (3-aminopiperidin-4-yl) nonanoate is CCCCCCCCC(=O)OC1CCNCC1N.
What is the InChIKey of (3-aminopiperidin-4-yl) nonanoate?
The InChIKey is PZBJUPSUJUNLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-2-3-4-5-6-7-8-14(17)18-13-9-10-16-11-12(13)15/h12-13,16H,2-11,15H2,1H3.
What are the key properties of (3-aminopiperidin-4-yl) nonanoate?
(3-aminopiperidin-4-yl) nonanoate has a molecular weight of 256.39 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-4-yl) nonanoate is sourced from PubChem (CID 166978005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).