6-[2-(4-aminopiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol

C16H31N3O — CID 177010618

IUPAC6-[2-(4-aminopiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol
SMILESCC(C)N1CC2(C1)CC(O)(CCN1CCC(N)CC1)C2
InChIInChI=1S/C16H31N3O/c1-13(2)19-11-15(12-19)9-16(20,10-15)5-8-18-6-3-14(17)4-7-18/h13-14,20H,3-12,17H2,1-2H3
InChIKeySTAQNPYZYFRRPZ-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.03
Rot. Bonds4

About 6-[2-(4-aminopiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol

6-[2-(4-aminopiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol (PubChem CID 177010618) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 6-[2-(4-aminopiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol.

Molecular Properties

Compound Name6-[2-(4-aminopiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol
PubChem CID177010618
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name6-[2-(4-aminopiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol
SMILESCC(C)N1CC2(C1)CC(O)(CCN1CCC(N)CC1)C2
InChIInChI=1S/C16H31N3O/c1-13(2)19-11-15(12-19)9-16(20,10-15)5-8-18-6-3-14(17)4-7-18/h13-14,20H,3-12,17H2,1-2H3
InChIKeySTAQNPYZYFRRPZ-UHFFFAOYSA-N
XLogP1.03
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-Piperidin-1-ylethyl)-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol
CID 177010463
6-[2-(4-Methylpiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol
CID 177010810
6-[2-(4-Methylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol
CID 177010964
6-[2-(4-Propan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol
CID 177011023
6-[2-(4-Butan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol
CID 177010546

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-aminopiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol?
The IUPAC name of 6-[2-(4-aminopiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol (CID 177010618) is 6-[2-(4-aminopiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol.
What is the SMILES notation for 6-[2-(4-aminopiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol?
The canonical SMILES for 6-[2-(4-aminopiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol is CC(C)N1CC2(C1)CC(O)(CCN1CCC(N)CC1)C2.
What is the InChIKey of 6-[2-(4-aminopiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol?
The InChIKey is STAQNPYZYFRRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(2)19-11-15(12-19)9-16(20,10-15)5-8-18-6-3-14(17)4-7-18/h13-14,20H,3-12,17H2,1-2H3.
What are the key properties of 6-[2-(4-aminopiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol?
6-[2-(4-aminopiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol has a molecular weight of 281.44 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-aminopiperidin-1-yl)ethyl]-2-propan-2-yl-2-azaspiro[3.3]heptan-6-ol is sourced from PubChem (CID 177010618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).