1-[6-(3-methoxycyclobutyl)hexyl]piperazine

C15H30N2O — CID 167217556

IUPAC1-[6-(3-methoxycyclobutyl)hexyl]piperazine
SMILESCOC1CC(CCCCCCN2CCNCC2)C1
InChIInChI=1S/C15H30N2O/c1-18-15-12-14(13-15)6-4-2-3-5-9-17-10-7-16-8-11-17/h14-16H,2-13H2,1H3
InChIKeyNFGDFCQTFHBHJH-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds8

About 1-[6-(3-methoxycyclobutyl)hexyl]piperazine

1-[6-(3-methoxycyclobutyl)hexyl]piperazine (PubChem CID 167217556) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[6-(3-methoxycyclobutyl)hexyl]piperazine.

Molecular Properties

Compound Name1-[6-(3-methoxycyclobutyl)hexyl]piperazine
PubChem CID167217556
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-[6-(3-methoxycyclobutyl)hexyl]piperazine
SMILESCOC1CC(CCCCCCN2CCNCC2)C1
InChIInChI=1S/C15H30N2O/c1-18-15-12-14(13-15)6-4-2-3-5-9-17-10-7-16-8-11-17/h14-16H,2-13H2,1H3
InChIKeyNFGDFCQTFHBHJH-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(oxan-4-yl)butyl]piperazine
CID 116928640
1-tricosylpiperazine
CID 130183651
1-[(6R)-6-methoxy-10,10-dimethylundecyl]piperazine
CID 118887793
4-[3-(3-methoxypyrrolidin-1-yl)propyl]piperidine
CID 103534757
ethane;1-(5-methoxypentyl)piperazine;propane
CID 156802443
ethane;1-octylpiperazine
CID 144711845
1-(4-cyclopenta-2,4-dien-1-ylbutyl)piperazine
CID 138454485
diazanium;1-docosylpiperazine;dibromide
CID 157305429
N-(3-methoxycyclobutyl)-2-piperazin-1-ylethanesulfonamide
CID 114120032
dimethoxy(4-piperazin-1-ylbutyl)silane
CID 173068820
1-(1-adamantyl)-6-piperazin-1-ylhexan-1-one
CID 158852171
6-piperazin-1-ylhexanoic acid
CID 54010280

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-methoxycyclobutyl)hexyl]piperazine?
The IUPAC name of 1-[6-(3-methoxycyclobutyl)hexyl]piperazine (CID 167217556) is 1-[6-(3-methoxycyclobutyl)hexyl]piperazine.
What is the SMILES notation for 1-[6-(3-methoxycyclobutyl)hexyl]piperazine?
The canonical SMILES for 1-[6-(3-methoxycyclobutyl)hexyl]piperazine is COC1CC(CCCCCCN2CCNCC2)C1.
What is the InChIKey of 1-[6-(3-methoxycyclobutyl)hexyl]piperazine?
The InChIKey is NFGDFCQTFHBHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-18-15-12-14(13-15)6-4-2-3-5-9-17-10-7-16-8-11-17/h14-16H,2-13H2,1H3.
What are the key properties of 1-[6-(3-methoxycyclobutyl)hexyl]piperazine?
1-[6-(3-methoxycyclobutyl)hexyl]piperazine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-methoxycyclobutyl)hexyl]piperazine is sourced from PubChem (CID 167217556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).