1-methyl-4-(3-undecan-6-yloxypropyl)piperidine

C20H41NO — CID 174499838

IUPAC1-methyl-4-(3-undecan-6-yloxypropyl)piperidine
SMILESCCCCCC(CCCCC)OCCCC1CCN(C)CC1
InChIInChI=1S/C20H41NO/c1-4-6-8-12-20(13-9-7-5-2)22-18-10-11-19-14-16-21(3)17-15-19/h19-20H,4-18H2,1-3H3
InChIKeyPPIMOADCUGSBGI-UHFFFAOYSA-N
MW311.55 g/mol
LogP5.65
Rot. Bonds13

About 1-methyl-4-(3-undecan-6-yloxypropyl)piperidine

1-methyl-4-(3-undecan-6-yloxypropyl)piperidine (PubChem CID 174499838) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is 1-methyl-4-(3-undecan-6-yloxypropyl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(3-undecan-6-yloxypropyl)piperidine
PubChem CID174499838
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name1-methyl-4-(3-undecan-6-yloxypropyl)piperidine
SMILESCCCCCC(CCCCC)OCCCC1CCN(C)CC1
InChIInChI=1S/C20H41NO/c1-4-6-8-12-20(13-9-7-5-2)22-18-10-11-19-14-16-21(3)17-15-19/h19-20H,4-18H2,1-3H3
InChIKeyPPIMOADCUGSBGI-UHFFFAOYSA-N
XLogP5.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 55.65
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

4-(2-butoxyethyl)-1-methylpiperidine
CID 23544400
6-octoxyundecane
CID 20520524
10-decoxyicosane
CID 150196888
N-[2-(1-methylpiperidin-4-yl)ethyl]octan-2-amine
CID 115717494
1,3-didecoxyundecane
CID 142711236
3-pentoxyhexadecan-1-amine
CID 153320725
1-methyl-3-tridecan-7-ylpyrrolidine
CID 129157230
1-methyl-3-tetradecan-7-ylpyrrolidine
CID 166688622
1-methyl-4-[2-(1-pentadecylpiperidin-4-yl)ethyl]piperidine;hydrochloride
CID 45263278
2-(3-octan-3-yloxypropyl)-7-(2-pentylheptyl)-7-azaspiro[3.5]nonane
CID 166800842
4-(3-methoxypropyl)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine
CID 175626941
1-(2-dodecoxydecoxy)dodecane
CID 175347971

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-undecan-6-yloxypropyl)piperidine?
The IUPAC name of 1-methyl-4-(3-undecan-6-yloxypropyl)piperidine (CID 174499838) is 1-methyl-4-(3-undecan-6-yloxypropyl)piperidine.
What is the SMILES notation for 1-methyl-4-(3-undecan-6-yloxypropyl)piperidine?
The canonical SMILES for 1-methyl-4-(3-undecan-6-yloxypropyl)piperidine is CCCCCC(CCCCC)OCCCC1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(3-undecan-6-yloxypropyl)piperidine?
The InChIKey is PPIMOADCUGSBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO/c1-4-6-8-12-20(13-9-7-5-2)22-18-10-11-19-14-16-21(3)17-15-19/h19-20H,4-18H2,1-3H3.
What are the key properties of 1-methyl-4-(3-undecan-6-yloxypropyl)piperidine?
1-methyl-4-(3-undecan-6-yloxypropyl)piperidine has a molecular weight of 311.55 g/mol, XLogP of 5.65, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-undecan-6-yloxypropyl)piperidine is sourced from PubChem (CID 174499838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).