1-[4-(oxan-4-yl)butyl]piperazine

C13H26N2O — CID 116928640

IUPAC1-[4-(oxan-4-yl)butyl]piperazine
SMILESC(CCN1CCNCC1)CC1CCOCC1
InChIInChI=1S/C13H26N2O/c1(3-13-4-11-16-12-5-13)2-8-15-9-6-14-7-10-15/h13-14H,1-12H2
InChIKeyHLFQQRFYUORWLJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds5

About 1-[4-(oxan-4-yl)butyl]piperazine

1-[4-(oxan-4-yl)butyl]piperazine (PubChem CID 116928640) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[4-(oxan-4-yl)butyl]piperazine.

Molecular Properties

Compound Name1-[4-(oxan-4-yl)butyl]piperazine
PubChem CID116928640
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[4-(oxan-4-yl)butyl]piperazine
SMILESC(CCN1CCNCC1)CC1CCOCC1
InChIInChI=1S/C13H26N2O/c1(3-13-4-11-16-12-5-13)2-8-15-9-6-14-7-10-15/h13-14H,1-12H2
InChIKeyHLFQQRFYUORWLJ-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
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

2,2-dimethyl-1-[4-(oxan-4-yl)butyl]piperazine
CID 114191337
1-[2,2-difluoro-3-(oxan-4-yl)propyl]piperazine
CID 116840550
1-[6-(3-methoxycyclobutyl)hexyl]piperazine
CID 167217556
1-(4-cyclopenta-2,4-dien-1-ylbutyl)piperazine
CID 138454485
4-bromo-3-methyl-1-[4-(oxan-4-yl)butyl]piperidine
CID 114192677
1-[2-(oxan-4-ylsulfanyl)ethyl]piperazine
CID 62990691
1-[2-[3-(oxan-4-yl)oxetan-3-yl]ethyl]piperazine
CID 116873116
4-(oxan-4-yl)-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
CID 114191042
ethane;4-(2-piperazin-1-ylethyl)morpholine
CID 143985030
N-(oxan-4-ylmethyl)-2-piperazin-1-ylethanesulfonamide
CID 55225882
1-methyl-4-(3-piperidin-4-ylpropyl)piperazine
CID 15057324
[(2R)-1-[4-(oxan-4-yl)butyl]pyrrolidin-2-yl]methanol
CID 114192421

Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxan-4-yl)butyl]piperazine?
The IUPAC name of 1-[4-(oxan-4-yl)butyl]piperazine (CID 116928640) is 1-[4-(oxan-4-yl)butyl]piperazine.
What is the SMILES notation for 1-[4-(oxan-4-yl)butyl]piperazine?
The canonical SMILES for 1-[4-(oxan-4-yl)butyl]piperazine is C(CCN1CCNCC1)CC1CCOCC1.
What is the InChIKey of 1-[4-(oxan-4-yl)butyl]piperazine?
The InChIKey is HLFQQRFYUORWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1(3-13-4-11-16-12-5-13)2-8-15-9-6-14-7-10-15/h13-14H,1-12H2.
What are the key properties of 1-[4-(oxan-4-yl)butyl]piperazine?
1-[4-(oxan-4-yl)butyl]piperazine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxan-4-yl)butyl]piperazine is sourced from PubChem (CID 116928640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).