1-dodecyl-2-ethylpiperidine

C19H39N — CID 171569899

IUPAC1-dodecyl-2-ethylpiperidine
SMILESCCCCCCCCCCCCN1CCCCC1CC
InChIInChI=1S/C19H39N/c1-3-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19(20)4-2/h19H,3-18H2,1-2H3
InChIKeyDCRSSHDKTWIQKW-UHFFFAOYSA-N
MW281.53 g/mol
LogP6.17
Rot. Bonds12

About 1-dodecyl-2-ethylpiperidine

1-dodecyl-2-ethylpiperidine (PubChem CID 171569899) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 1-dodecyl-2-ethylpiperidine.

Molecular Properties

Compound Name1-dodecyl-2-ethylpiperidine
PubChem CID171569899
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name1-dodecyl-2-ethylpiperidine
SMILESCCCCCCCCCCCCN1CCCCC1CC
InChIInChI=1S/C19H39N/c1-3-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19(20)4-2/h19H,3-18H2,1-2H3
InChIKeyDCRSSHDKTWIQKW-UHFFFAOYSA-N
XLogP6.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 175849535
2-ethyl-1-undecylpyrrolidine
CID 171569857
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CID 171569565
acetic acid;1-butyl-2-ethylpiperidine
CID 175583343
(1-dodecylpiperidin-2-yl)methanamine
CID 63405140
2-butyl-1-hexylpiperidine;hydrofluoride
CID 175874869
2-(bromomethyl)-1-heptylpiperidine
CID 80673779
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CID 54429991
(1-dodecylazepan-2-yl)methanamine
CID 116640397
4-(2-ethylpiperidin-1-yl)butan-1-ol
CID 43509675
2-(1-hexylpiperidin-2-yl)ethanamine
CID 63759699
2-(1-octylpiperidin-2-yl)ethanol
CID 62020097

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-2-ethylpiperidine?
The IUPAC name of 1-dodecyl-2-ethylpiperidine (CID 171569899) is 1-dodecyl-2-ethylpiperidine.
What is the SMILES notation for 1-dodecyl-2-ethylpiperidine?
The canonical SMILES for 1-dodecyl-2-ethylpiperidine is CCCCCCCCCCCCN1CCCCC1CC.
What is the InChIKey of 1-dodecyl-2-ethylpiperidine?
The InChIKey is DCRSSHDKTWIQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-3-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19(20)4-2/h19H,3-18H2,1-2H3.
What are the key properties of 1-dodecyl-2-ethylpiperidine?
1-dodecyl-2-ethylpiperidine has a molecular weight of 281.53 g/mol, XLogP of 6.17, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-2-ethylpiperidine is sourced from PubChem (CID 171569899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).