1-methyl-4-(6-methylundecan-6-yl)piperazine

C17H36N2 — CID 170232998

IUPAC1-methyl-4-(6-methylundecan-6-yl)piperazine
SMILESCCCCCC(C)(CCCCC)N1CCN(C)CC1
InChIInChI=1S/C17H36N2/c1-5-7-9-11-17(3,12-10-8-6-2)19-15-13-18(4)14-16-19/h5-16H2,1-4H3
InChIKeyWLLOXCSDISFHCH-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.15
Rot. Bonds9

About 1-methyl-4-(6-methylundecan-6-yl)piperazine

1-methyl-4-(6-methylundecan-6-yl)piperazine (PubChem CID 170232998) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-methyl-4-(6-methylundecan-6-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(6-methylundecan-6-yl)piperazine
PubChem CID170232998
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-methyl-4-(6-methylundecan-6-yl)piperazine
SMILESCCCCCC(C)(CCCCC)N1CCN(C)CC1
InChIInChI=1S/C17H36N2/c1-5-7-9-11-17(3,12-10-8-6-2)19-15-13-18(4)14-16-19/h5-16H2,1-4H3
InChIKeyWLLOXCSDISFHCH-UHFFFAOYSA-N
XLogP4.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.15
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

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CID 131990775
4-(5-methyldodecan-5-yl)morpholine
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1-(7-methyltetradecan-7-yl)-1,3-diazetidine
CID 139436879
1,2-dimethyl-4-(4-methylnonan-4-yl)piperazine
CID 139518624
4-(3-methylnonan-3-yl)-1,4-thiazinane 1,1-dioxide
CID 138503013
1-(3,3-dimethylnonyl)-4-methylpiperazine
CID 130279458
1-(2,2-dimethyloctyl)-4-methylpiperazine
CID 167019238
1-(2-butyl-2-methyloctyl)-4-methylpiperazine
CID 166898824
1-methyl-4-(3-methyloctan-3-yl)piperazin-2-one
CID 130272243
1-(2-ethyl-2-methylnonyl)-4-methylpiperazine
CID 155044538
1-(6-methyldodecan-6-yl)azetidin-3-amine
CID 130337700
1-tert-butyl-4-methylpiperazine;propane
CID 159466011

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(6-methylundecan-6-yl)piperazine?
The IUPAC name of 1-methyl-4-(6-methylundecan-6-yl)piperazine (CID 170232998) is 1-methyl-4-(6-methylundecan-6-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(6-methylundecan-6-yl)piperazine?
The canonical SMILES for 1-methyl-4-(6-methylundecan-6-yl)piperazine is CCCCCC(C)(CCCCC)N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(6-methylundecan-6-yl)piperazine?
The InChIKey is WLLOXCSDISFHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-5-7-9-11-17(3,12-10-8-6-2)19-15-13-18(4)14-16-19/h5-16H2,1-4H3.
What are the key properties of 1-methyl-4-(6-methylundecan-6-yl)piperazine?
1-methyl-4-(6-methylundecan-6-yl)piperazine has a molecular weight of 268.49 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(6-methylundecan-6-yl)piperazine is sourced from PubChem (CID 170232998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).