1-(oxan-4-yl)piperazine;1-(oxan-4-yl)piperidine;piperidine

C24H48N4O2 — CID 158755919

IUPAC1-(oxan-4-yl)piperazine;1-(oxan-4-yl)piperidine;piperidine
SMILESC1CCN(C2CCOCC2)CC1.C1CCNCC1.C1CN(C2CCOCC2)CCN1
InChIInChI=1S/C10H19NO.C9H18N2O.C5H11N/c1-2-6-11(7-3-1)10-4-8-12-9-5-10;1-7-12-8-2-9(1)11-5-3-10-4-6-11;1-2-4-6-5-3-1/h10H,1-9H2;9-10H,1-8H2;6H,1-5H2
InChIKeyIOBQMCBFWHWEIS-UHFFFAOYSA-N
MW424.67 g/mol
LogP2.48
Rot. Bonds2

About 1-(oxan-4-yl)piperazine;1-(oxan-4-yl)piperidine;piperidine

1-(oxan-4-yl)piperazine;1-(oxan-4-yl)piperidine;piperidine (PubChem CID 158755919) has the molecular formula C24H48N4O2 and a molecular weight of 424.67 g/mol. Its IUPAC name is 1-(oxan-4-yl)piperazine;1-(oxan-4-yl)piperidine;piperidine.

Molecular Properties

Compound Name1-(oxan-4-yl)piperazine;1-(oxan-4-yl)piperidine;piperidine
PubChem CID158755919
Molecular FormulaC24H48N4O2
Molecular Weight424.67 g/mol
Exact Mass424.38
IUPAC Name1-(oxan-4-yl)piperazine;1-(oxan-4-yl)piperidine;piperidine
SMILESC1CCN(C2CCOCC2)CC1.C1CCNCC1.C1CN(C2CCOCC2)CCN1
InChIInChI=1S/C10H19NO.C9H18N2O.C5H11N/c1-2-6-11(7-3-1)10-4-8-12-9-5-10;1-7-12-8-2-9(1)11-5-3-10-4-6-11;1-2-4-6-5-3-1/h10H,1-9H2;9-10H,1-8H2;6H,1-5H2
InChIKeyIOBQMCBFWHWEIS-UHFFFAOYSA-N
XLogP2.48
TPSA49.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.67
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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1-cycloheptylpiperazine;methane
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1-cyclopentylpiperazine;ethane
CID 143559542
2-(oxan-4-yl)-2,8-diazaspiro[4.5]decane
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CID 79905033

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)piperazine;1-(oxan-4-yl)piperidine;piperidine?
The IUPAC name of 1-(oxan-4-yl)piperazine;1-(oxan-4-yl)piperidine;piperidine (CID 158755919) is 1-(oxan-4-yl)piperazine;1-(oxan-4-yl)piperidine;piperidine.
What is the SMILES notation for 1-(oxan-4-yl)piperazine;1-(oxan-4-yl)piperidine;piperidine?
The canonical SMILES for 1-(oxan-4-yl)piperazine;1-(oxan-4-yl)piperidine;piperidine is C1CCN(C2CCOCC2)CC1.C1CCNCC1.C1CN(C2CCOCC2)CCN1.
What is the InChIKey of 1-(oxan-4-yl)piperazine;1-(oxan-4-yl)piperidine;piperidine?
The InChIKey is IOBQMCBFWHWEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C9H18N2O.C5H11N/c1-2-6-11(7-3-1)10-4-8-12-9-5-10;1-7-12-8-2-9(1)11-5-3-10-4-6-11;1-2-4-6-5-3-1/h10H,1-9H2;9-10H,1-8H2;6H,1-5H2.
What are the key properties of 1-(oxan-4-yl)piperazine;1-(oxan-4-yl)piperidine;piperidine?
1-(oxan-4-yl)piperazine;1-(oxan-4-yl)piperidine;piperidine has a molecular weight of 424.67 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)piperazine;1-(oxan-4-yl)piperidine;piperidine is sourced from PubChem (CID 158755919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).