4-methyl-3-octoxypiperidine

C14H29NO — CID 102954063

IUPAC4-methyl-3-octoxypiperidine
SMILESCCCCCCCCOC1CNCCC1C
InChIInChI=1S/C14H29NO/c1-3-4-5-6-7-8-11-16-14-12-15-10-9-13(14)2/h13-15H,3-12H2,1-2H3
InChIKeyODLYRSLHNWKART-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds8

About 4-methyl-3-octoxypiperidine

4-methyl-3-octoxypiperidine (PubChem CID 102954063) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-methyl-3-octoxypiperidine.

Molecular Properties

Compound Name4-methyl-3-octoxypiperidine
PubChem CID102954063
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-methyl-3-octoxypiperidine
SMILESCCCCCCCCOC1CNCCC1C
InChIInChI=1S/C14H29NO/c1-3-4-5-6-7-8-11-16-14-12-15-10-9-13(14)2/h13-15H,3-12H2,1-2H3
InChIKeyODLYRSLHNWKART-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
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

3-hept-6-enoxy-4-methylpiperidine
CID 107007754
4-pentoxypiperidine
CID 43167830
4-methyl-3-(3-phenoxypropoxy)piperidine
CID 102954189
4-hexoxypyrrolidin-3-ol
CID 63701868
2-[2-(4-methylpiperidin-3-yl)oxyethoxy]ethanol
CID 106939216
(3S,4S)-4-pentoxypyrrolidin-3-ol
CID 70454263
3-(2-heptoxyethyl)pyrrolidine
CID 114795978
(3R)-3,4-bis(tetradec-9-enoxy)pyrrolidine
CID 123532636
(3R,4R)-3,4-bis[(9Z,12Z)-octadeca-9,12-dienoxy]pyrrolidine
CID 86699633
heptoxycyclopropane
CID 54099544
3-[(E)-3-chloroprop-2-enoxy]-4-methylpiperidine
CID 102954054
4-methyl-3-(7-methyltetradecan-7-yl)piperidine
CID 154952997

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-octoxypiperidine?
The IUPAC name of 4-methyl-3-octoxypiperidine (CID 102954063) is 4-methyl-3-octoxypiperidine.
What is the SMILES notation for 4-methyl-3-octoxypiperidine?
The canonical SMILES for 4-methyl-3-octoxypiperidine is CCCCCCCCOC1CNCCC1C.
What is the InChIKey of 4-methyl-3-octoxypiperidine?
The InChIKey is ODLYRSLHNWKART-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-4-5-6-7-8-11-16-14-12-15-10-9-13(14)2/h13-15H,3-12H2,1-2H3.
What are the key properties of 4-methyl-3-octoxypiperidine?
4-methyl-3-octoxypiperidine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-octoxypiperidine is sourced from PubChem (CID 102954063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).