1-(1-octylpiperidin-2-yl)propan-2-one

C16H31NO — CID 79537819

IUPAC1-(1-octylpiperidin-2-yl)propan-2-one
SMILESCCCCCCCCN1CCCCC1CC(C)=O
InChIInChI=1S/C16H31NO/c1-3-4-5-6-7-9-12-17-13-10-8-11-16(17)14-15(2)18/h16H,3-14H2,1-2H3
InChIKeyDHGJRVSSPRREJF-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.18
Rot. Bonds9

About 1-(1-octylpiperidin-2-yl)propan-2-one

1-(1-octylpiperidin-2-yl)propan-2-one (PubChem CID 79537819) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-(1-octylpiperidin-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-octylpiperidin-2-yl)propan-2-one
PubChem CID79537819
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-(1-octylpiperidin-2-yl)propan-2-one
SMILESCCCCCCCCN1CCCCC1CC(C)=O
InChIInChI=1S/C16H31NO/c1-3-4-5-6-7-9-12-17-13-10-8-11-16(17)14-15(2)18/h16H,3-14H2,1-2H3
InChIKeyDHGJRVSSPRREJF-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-dodecyl-2-ethylpiperidine
CID 171569899
ethyl 6-[2-(2-oxopropyl)azepan-1-yl]hexanoate
CID 79540569
1-[1-(2-fluoroethyl)piperidin-2-yl]propan-2-one
CID 80695193
1-[1-[3-(dimethylamino)propyl]azepan-2-yl]propan-2-one
CID 114525397
2-butyl-1-hexylpiperidine
CID 171569565
2-ethyl-1-nonylpiperidine;hydrofluoride
CID 175849535
1-[1-[3-(2-methoxyethoxy)propyl]piperidin-2-yl]propan-2-one
CID 103409848
methyl 4-[2-(2-oxopropyl)piperidin-1-yl]butanoate
CID 79538399
acetic acid;1-butyl-2-ethylpiperidine
CID 175583343
2-(1-octylpiperidin-2-yl)ethanol
CID 62020097
(1-dodecylpiperidin-2-yl)methanamine
CID 63405140
2-butyl-1-hexylpiperidine;hydrofluoride
CID 175874869

Frequently Asked Questions

What is the IUPAC name of 1-(1-octylpiperidin-2-yl)propan-2-one?
The IUPAC name of 1-(1-octylpiperidin-2-yl)propan-2-one (CID 79537819) is 1-(1-octylpiperidin-2-yl)propan-2-one.
What is the SMILES notation for 1-(1-octylpiperidin-2-yl)propan-2-one?
The canonical SMILES for 1-(1-octylpiperidin-2-yl)propan-2-one is CCCCCCCCN1CCCCC1CC(C)=O.
What is the InChIKey of 1-(1-octylpiperidin-2-yl)propan-2-one?
The InChIKey is DHGJRVSSPRREJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-3-4-5-6-7-9-12-17-13-10-8-11-16(17)14-15(2)18/h16H,3-14H2,1-2H3.
What are the key properties of 1-(1-octylpiperidin-2-yl)propan-2-one?
1-(1-octylpiperidin-2-yl)propan-2-one has a molecular weight of 253.43 g/mol, XLogP of 4.18, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-octylpiperidin-2-yl)propan-2-one is sourced from PubChem (CID 79537819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).