acetic acid;1-nonylpiperidine

C16H33NO2 — CID 175874764

IUPACacetic acid;1-nonylpiperidine
SMILESCC(=O)O.CCCCCCCCCN1CCCCC1
InChIInChI=1S/C14H29N.C2H4O2/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15;1-2(3)4/h2-14H2,1H3;1H3,(H,3,4)
InChIKeyFRQSUJRPNJLXEF-UHFFFAOYSA-N
MW271.44 g/mol
LogP4.31
Rot. Bonds8

About acetic acid;1-nonylpiperidine

acetic acid;1-nonylpiperidine (PubChem CID 175874764) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is acetic acid;1-nonylpiperidine.

Molecular Properties

Compound Nameacetic acid;1-nonylpiperidine
PubChem CID175874764
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Nameacetic acid;1-nonylpiperidine
SMILESCC(=O)O.CCCCCCCCCN1CCCCC1
InChIInChI=1S/C14H29N.C2H4O2/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15;1-2(3)4/h2-14H2,1H3;1H3,(H,3,4)
InChIKeyFRQSUJRPNJLXEF-UHFFFAOYSA-N
XLogP4.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;1-dodecylpyrrolidine
CID 175583827
1-decylpiperidine
CID 4649960
1-octylazonane
CID 20533821
1-dodecylazepane
CID 3366129
1-butylpiperidine;hexane;1-hexylpiperidine
CID 156727490
1-tetradecylpiperidine;hydrochloride
CID 71325293
CID 162323144
CID 162323144
ethane;1-nonylpiperidine
CID 177011009
1-decylpiperidine;methanesulfonic acid
CID 175874627
1-heptylazetidine
CID 134402356
methanesulfonic acid;1-nonylpyrrolidine
CID 175874971
methanesulfonic acid;1-undecylpyrrolidine
CID 175583381

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-nonylpiperidine?
The IUPAC name of acetic acid;1-nonylpiperidine (CID 175874764) is acetic acid;1-nonylpiperidine.
What is the SMILES notation for acetic acid;1-nonylpiperidine?
The canonical SMILES for acetic acid;1-nonylpiperidine is CC(=O)O.CCCCCCCCCN1CCCCC1.
What is the InChIKey of acetic acid;1-nonylpiperidine?
The InChIKey is FRQSUJRPNJLXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N.C2H4O2/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15;1-2(3)4/h2-14H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-nonylpiperidine?
acetic acid;1-nonylpiperidine has a molecular weight of 271.44 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-nonylpiperidine is sourced from PubChem (CID 175874764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).