3-butyl-1-dodecylpiperidine

C21H43N — CID 171569666

IUPAC3-butyl-1-dodecylpiperidine
SMILESCCCCCCCCCCCCN1CCCC(CCCC)C1
InChIInChI=1S/C21H43N/c1-3-5-7-8-9-10-11-12-13-14-18-22-19-15-17-21(20-22)16-6-4-2/h21H,3-20H2,1-2H3
InChIKeyJNJDGIQLIZVXRL-UHFFFAOYSA-N
MW309.58 g/mol
LogP6.81
Rot. Bonds14

About 3-butyl-1-dodecylpiperidine

3-butyl-1-dodecylpiperidine (PubChem CID 171569666) has the molecular formula C21H43N and a molecular weight of 309.58 g/mol. Its IUPAC name is 3-butyl-1-dodecylpiperidine.

Molecular Properties

Compound Name3-butyl-1-dodecylpiperidine
PubChem CID171569666
Molecular FormulaC21H43N
Molecular Weight309.58 g/mol
Exact Mass309.34
IUPAC Name3-butyl-1-dodecylpiperidine
SMILESCCCCCCCCCCCCN1CCCC(CCCC)C1
InChIInChI=1S/C21H43N/c1-3-5-7-8-9-10-11-12-13-14-18-22-19-15-17-21(20-22)16-6-4-2/h21H,3-20H2,1-2H3
InChIKeyJNJDGIQLIZVXRL-UHFFFAOYSA-N
XLogP6.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.58
LogP ≤ 56.81
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

3-butyl-1-decylpiperidine;hydrochloride
CID 175874858
1,3-di(tridecyl)piperidine
CID 162511834
3-butyl-1-pentylpiperidine;formonitrile
CID 175874905
3-butyl-1-hexylpyrrolidine
CID 171570679
2-(1-heptylpiperidin-3-yl)ethanamine
CID 63764597
3-butyl-1-dodecylpyrrolidine;hydrofluoride
CID 175874831
3-ethyl-1-heptylpiperidine
CID 171569576
3-(2-bromoethyl)-1-pentylpiperidine
CID 80690908
3-butyl-1-pentylpiperidine;trifluoromethanesulfonic acid
CID 175874954
3-(bromomethyl)-1-pentylpiperidine
CID 80679758
2-(1-decylpiperidin-3-yl)acetic acid
CID 62689590
1-octyl-3-propylpyrrolidine;hydrochloride
CID 175874915

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-dodecylpiperidine?
The IUPAC name of 3-butyl-1-dodecylpiperidine (CID 171569666) is 3-butyl-1-dodecylpiperidine.
What is the SMILES notation for 3-butyl-1-dodecylpiperidine?
The canonical SMILES for 3-butyl-1-dodecylpiperidine is CCCCCCCCCCCCN1CCCC(CCCC)C1.
What is the InChIKey of 3-butyl-1-dodecylpiperidine?
The InChIKey is JNJDGIQLIZVXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N/c1-3-5-7-8-9-10-11-12-13-14-18-22-19-15-17-21(20-22)16-6-4-2/h21H,3-20H2,1-2H3.
What are the key properties of 3-butyl-1-dodecylpiperidine?
3-butyl-1-dodecylpiperidine has a molecular weight of 309.58 g/mol, XLogP of 6.81, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-dodecylpiperidine is sourced from PubChem (CID 171569666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).