1-heptan-2-yl-4-methylpiperazine;1-methyl-4-pentylpiperazine

C22H48N4 — CID 143197605

IUPAC1-heptan-2-yl-4-methylpiperazine;1-methyl-4-pentylpiperazine
SMILESCCCCCC(C)N1CCN(C)CC1.CCCCCN1CCN(C)CC1
InChIInChI=1S/C12H26N2.C10H22N2/c1-4-5-6-7-12(2)14-10-8-13(3)9-11-14;1-3-4-5-6-12-9-7-11(2)8-10-12/h12H,4-11H2,1-3H3;3-10H2,1-2H3
InChIKeyBTAMLJIVBYYJLP-UHFFFAOYSA-N
MW368.65 g/mol
LogP3.63
Rot. Bonds9

About 1-heptan-2-yl-4-methylpiperazine;1-methyl-4-pentylpiperazine

1-heptan-2-yl-4-methylpiperazine;1-methyl-4-pentylpiperazine (PubChem CID 143197605) has the molecular formula C22H48N4 and a molecular weight of 368.65 g/mol. Its IUPAC name is 1-heptan-2-yl-4-methylpiperazine;1-methyl-4-pentylpiperazine.

Molecular Properties

Compound Name1-heptan-2-yl-4-methylpiperazine;1-methyl-4-pentylpiperazine
PubChem CID143197605
Molecular FormulaC22H48N4
Molecular Weight368.65 g/mol
Exact Mass368.39
IUPAC Name1-heptan-2-yl-4-methylpiperazine;1-methyl-4-pentylpiperazine
SMILESCCCCCC(C)N1CCN(C)CC1.CCCCCN1CCN(C)CC1
InChIInChI=1S/C12H26N2.C10H22N2/c1-4-5-6-7-12(2)14-10-8-13(3)9-11-14;1-3-4-5-6-12-9-7-11(2)8-10-12/h12H,4-11H2,1-3H3;3-10H2,1-2H3
InChIKeyBTAMLJIVBYYJLP-UHFFFAOYSA-N
XLogP3.63
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.65
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-heptan-2-yl-4-methyl-1,4-diazepane
CID 146200465
ethane;1-methyl-4-pentylpiperazine
CID 145099418
2-(4-hexylpiperazin-1-yl)propan-1-amine
CID 63340593
1-methyl-4-[(2R)-pentan-2-yl]piperazine
CID 97304611
2-(4-octan-2-ylpiperazin-1-yl)acetic acid
CID 65055294
acetylene;1-methyl-4-octylpiperazine
CID 144712197
4-(4-propylpiperazin-1-yl)pentan-1-amine
CID 62423620
1-dodecan-2-ylpyrrolidine
CID 70871228
1-methyl-4-(3-pentylnonyl)piperazine
CID 126576998
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
CID 170586361

Frequently Asked Questions

What is the IUPAC name of 1-heptan-2-yl-4-methylpiperazine;1-methyl-4-pentylpiperazine?
The IUPAC name of 1-heptan-2-yl-4-methylpiperazine;1-methyl-4-pentylpiperazine (CID 143197605) is 1-heptan-2-yl-4-methylpiperazine;1-methyl-4-pentylpiperazine.
What is the SMILES notation for 1-heptan-2-yl-4-methylpiperazine;1-methyl-4-pentylpiperazine?
The canonical SMILES for 1-heptan-2-yl-4-methylpiperazine;1-methyl-4-pentylpiperazine is CCCCCC(C)N1CCN(C)CC1.CCCCCN1CCN(C)CC1.
What is the InChIKey of 1-heptan-2-yl-4-methylpiperazine;1-methyl-4-pentylpiperazine?
The InChIKey is BTAMLJIVBYYJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2.C10H22N2/c1-4-5-6-7-12(2)14-10-8-13(3)9-11-14;1-3-4-5-6-12-9-7-11(2)8-10-12/h12H,4-11H2,1-3H3;3-10H2,1-2H3.
What are the key properties of 1-heptan-2-yl-4-methylpiperazine;1-methyl-4-pentylpiperazine?
1-heptan-2-yl-4-methylpiperazine;1-methyl-4-pentylpiperazine has a molecular weight of 368.65 g/mol, XLogP of 3.63, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-2-yl-4-methylpiperazine;1-methyl-4-pentylpiperazine is sourced from PubChem (CID 143197605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).