1-piperidin-4-yl-1,6-diazaspiro[3.3]heptane;8-propyl-2,8-diazaspiro[4.5]decane

C21H41N5 — CID 162741868

IUPAC1-piperidin-4-yl-1,6-diazaspiro[3.3]heptane;8-propyl-2,8-diazaspiro[4.5]decane
SMILESC1CC(N2CCC23CNC3)CCN1.CCCN1CCC2(CCNC2)CC1
InChIInChI=1S/C11H22N2.C10H19N3/c1-2-7-13-8-4-11(5-9-13)3-6-12-10-11;1-4-11-5-2-9(1)13-6-3-10(13)7-12-8-10/h12H,2-10H2,1H3;9,11-12H,1-8H2
InChIKeyULCGCLSXCFURHM-UHFFFAOYSA-N
MW363.59 g/mol
LogP1.26
Rot. Bonds3

About 1-piperidin-4-yl-1,6-diazaspiro[3.3]heptane;8-propyl-2,8-diazaspiro[4.5]decane

1-piperidin-4-yl-1,6-diazaspiro[3.3]heptane;8-propyl-2,8-diazaspiro[4.5]decane (PubChem CID 162741868) has the molecular formula C21H41N5 and a molecular weight of 363.59 g/mol. Its IUPAC name is 1-piperidin-4-yl-1,6-diazaspiro[3.3]heptane;8-propyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-piperidin-4-yl-1,6-diazaspiro[3.3]heptane;8-propyl-2,8-diazaspiro[4.5]decane
PubChem CID162741868
Molecular FormulaC21H41N5
Molecular Weight363.59 g/mol
Exact Mass363.34
IUPAC Name1-piperidin-4-yl-1,6-diazaspiro[3.3]heptane;8-propyl-2,8-diazaspiro[4.5]decane
SMILESC1CC(N2CCC23CNC3)CCN1.CCCN1CCC2(CCNC2)CC1
InChIInChI=1S/C11H22N2.C10H19N3/c1-2-7-13-8-4-11(5-9-13)3-6-12-10-11;1-4-11-5-2-9(1)13-6-3-10(13)7-12-8-10/h12H,2-10H2,1H3;9,11-12H,1-8H2
InChIKeyULCGCLSXCFURHM-UHFFFAOYSA-N
XLogP1.26
TPSA42.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.59
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-1,6-diazaspiro[3.3]heptane;8-propyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 1-piperidin-4-yl-1,6-diazaspiro[3.3]heptane;8-propyl-2,8-diazaspiro[4.5]decane (CID 162741868) is 1-piperidin-4-yl-1,6-diazaspiro[3.3]heptane;8-propyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 1-piperidin-4-yl-1,6-diazaspiro[3.3]heptane;8-propyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 1-piperidin-4-yl-1,6-diazaspiro[3.3]heptane;8-propyl-2,8-diazaspiro[4.5]decane is C1CC(N2CCC23CNC3)CCN1.CCCN1CCC2(CCNC2)CC1.
What is the InChIKey of 1-piperidin-4-yl-1,6-diazaspiro[3.3]heptane;8-propyl-2,8-diazaspiro[4.5]decane?
The InChIKey is ULCGCLSXCFURHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.C10H19N3/c1-2-7-13-8-4-11(5-9-13)3-6-12-10-11;1-4-11-5-2-9(1)13-6-3-10(13)7-12-8-10/h12H,2-10H2,1H3;9,11-12H,1-8H2.
What are the key properties of 1-piperidin-4-yl-1,6-diazaspiro[3.3]heptane;8-propyl-2,8-diazaspiro[4.5]decane?
1-piperidin-4-yl-1,6-diazaspiro[3.3]heptane;8-propyl-2,8-diazaspiro[4.5]decane has a molecular weight of 363.59 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-1,6-diazaspiro[3.3]heptane;8-propyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 162741868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).