nonan-2-yl piperidin-2-yl carbonate

C15H29NO3 — CID 54506928

IUPACnonan-2-yl piperidin-2-yl carbonate
SMILESCCCCCCCC(C)OC(=O)OC1CCCCN1
InChIInChI=1S/C15H29NO3/c1-3-4-5-6-7-10-13(2)18-15(17)19-14-11-8-9-12-16-14/h13-14,16H,3-12H2,1-2H3
InChIKeyNGWISGAPZSSSRD-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.99
Rot. Bonds8

About nonan-2-yl piperidin-2-yl carbonate

nonan-2-yl piperidin-2-yl carbonate (PubChem CID 54506928) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is nonan-2-yl piperidin-2-yl carbonate.

Molecular Properties

Compound Namenonan-2-yl piperidin-2-yl carbonate
PubChem CID54506928
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Namenonan-2-yl piperidin-2-yl carbonate
SMILESCCCCCCCC(C)OC(=O)OC1CCCCN1
InChIInChI=1S/C15H29NO3/c1-3-4-5-6-7-10-13(2)18-15(17)19-14-11-8-9-12-16-14/h13-14,16H,3-12H2,1-2H3
InChIKeyNGWISGAPZSSSRD-UHFFFAOYSA-N
XLogP3.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

nonan-3-yl pyrrolidin-2-yl carbonate
CID 54338103
piperidin-2-yl octadecanoate
CID 54524837
butyl piperidin-2-yl carbonate
CID 54057815
hexyl pyrrolidin-2-yl carbonate
CID 54505278
tetradecan-7-yl piperidine-2-carboxylate
CID 167096260
pentan-2-yl piperidine-2-carboxylate
CID 102982469
2-methyl-1-pyrrolidin-2-yloctan-1-one
CID 170267083
octan-2-yl 2-(cyclopentylamino)acetate
CID 61303088
decan-2-yl 2-hydroxypropanoate
CID 118918104
octadecan-2-yl 2-methylnonadecanoate
CID 58960721
pentan-2-yl azepane-2-carboxylate
CID 102982576
decan-2-yl 2-methylpropyl carbonate
CID 91692891

Frequently Asked Questions

What is the IUPAC name of nonan-2-yl piperidin-2-yl carbonate?
The IUPAC name of nonan-2-yl piperidin-2-yl carbonate (CID 54506928) is nonan-2-yl piperidin-2-yl carbonate.
What is the SMILES notation for nonan-2-yl piperidin-2-yl carbonate?
The canonical SMILES for nonan-2-yl piperidin-2-yl carbonate is CCCCCCCC(C)OC(=O)OC1CCCCN1.
What is the InChIKey of nonan-2-yl piperidin-2-yl carbonate?
The InChIKey is NGWISGAPZSSSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-3-4-5-6-7-10-13(2)18-15(17)19-14-11-8-9-12-16-14/h13-14,16H,3-12H2,1-2H3.
What are the key properties of nonan-2-yl piperidin-2-yl carbonate?
nonan-2-yl piperidin-2-yl carbonate has a molecular weight of 271.40 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonan-2-yl piperidin-2-yl carbonate is sourced from PubChem (CID 54506928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).