1-[2-(aminomethyl)piperidin-1-yl]tetradecan-1-one

C20H40N2O — CID 15072976

IUPAC1-[2-(aminomethyl)piperidin-1-yl]tetradecan-1-one
SMILESCCCCCCCCCCCCCC(=O)N1CCCCC1CN
InChIInChI=1S/C20H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-16-20(23)22-17-14-13-15-19(22)18-21/h19H,2-18,21H2,1H3
InChIKeySIMKRJJNARLOTA-UHFFFAOYSA-N
MW324.55 g/mol
LogP5.03
Rot. Bonds13

About 1-[2-(aminomethyl)piperidin-1-yl]tetradecan-1-one

1-[2-(aminomethyl)piperidin-1-yl]tetradecan-1-one (PubChem CID 15072976) has the molecular formula C20H40N2O and a molecular weight of 324.55 g/mol. Its IUPAC name is 1-[2-(aminomethyl)piperidin-1-yl]tetradecan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)piperidin-1-yl]tetradecan-1-one
PubChem CID15072976
Molecular FormulaC20H40N2O
Molecular Weight324.55 g/mol
Exact Mass324.31
IUPAC Name1-[2-(aminomethyl)piperidin-1-yl]tetradecan-1-one
SMILESCCCCCCCCCCCCCC(=O)N1CCCCC1CN
InChIInChI=1S/C20H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-16-20(23)22-17-14-13-15-19(22)18-21/h19H,2-18,21H2,1H3
InChIKeySIMKRJJNARLOTA-UHFFFAOYSA-N
XLogP5.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 55.03
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

Amidoamine S
CID 24091
Lycetamine
CID 10595298
4-Hexadecanoyl-1,1-dimethylpiperazin-1-ium iodide
CID 19981254
4-Dodecanoylpiperazine-2,6-dione
CID 2775706
Hexanamide, 2,6-diamino-N-dodecyl-, (S)-
CID 10805166
Myristamide, N-(2-aminoethyl)-
CID 3046196
Decanamide, N,N'-1,2-ethanediylbis-
CID 283611
Hexadecanoic Acid Isopropylamide
CID 5063962
(2S)-2,6-diamino-N-tetradecylhexanamide
CID 10664966
1-(4-Ethyl-4-methylpiperazin-4-ium-1-yl)hexadecan-1-one iodide
CID 24944585
1-(4,4-Dimethylpiperazin-4-ium-1-yl)icosan-1-one iodide
CID 24944660
1-(4-Ethyl-4-methylpiperazin-4-ium-1-yl)docosan-1-one iodide
CID 24944735

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]tetradecan-1-one?
The IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]tetradecan-1-one (CID 15072976) is 1-[2-(aminomethyl)piperidin-1-yl]tetradecan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)piperidin-1-yl]tetradecan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)piperidin-1-yl]tetradecan-1-one is CCCCCCCCCCCCCC(=O)N1CCCCC1CN.
What is the InChIKey of 1-[2-(aminomethyl)piperidin-1-yl]tetradecan-1-one?
The InChIKey is SIMKRJJNARLOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-16-20(23)22-17-14-13-15-19(22)18-21/h19H,2-18,21H2,1H3.
What are the key properties of 1-[2-(aminomethyl)piperidin-1-yl]tetradecan-1-one?
1-[2-(aminomethyl)piperidin-1-yl]tetradecan-1-one has a molecular weight of 324.55 g/mol, XLogP of 5.03, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)piperidin-1-yl]tetradecan-1-one is sourced from PubChem (CID 15072976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).