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

C16H30N2O — CID 177011023

IUPAC6-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol
SMILESCC(C)C1CCN(CCC2(O)CC3(CNC3)C2)CC1
InChIInChI=1S/C16H30N2O/c1-13(2)14-3-6-18(7-4-14)8-5-16(19)9-15(10-16)11-17-12-15/h13-14,17,19H,3-12H2,1-2H3
InChIKeyKLZMPGIDUZOGKP-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.86
Rot. Bonds4

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

6-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol (PubChem CID 177011023) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 6-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol.

Molecular Properties

Compound Name6-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol
PubChem CID177011023
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name6-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol
SMILESCC(C)C1CCN(CCC2(O)CC3(CNC3)C2)CC1
InChIInChI=1S/C16H30N2O/c1-13(2)14-3-6-18(7-4-14)8-5-16(19)9-15(10-16)11-17-12-15/h13-14,17,19H,3-12H2,1-2H3
InChIKeyKLZMPGIDUZOGKP-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol?
The IUPAC name of 6-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol (CID 177011023) is 6-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol.
What is the SMILES notation for 6-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol?
The canonical SMILES for 6-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol is CC(C)C1CCN(CCC2(O)CC3(CNC3)C2)CC1.
What is the InChIKey of 6-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol?
The InChIKey is KLZMPGIDUZOGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13(2)14-3-6-18(7-4-14)8-5-16(19)9-15(10-16)11-17-12-15/h13-14,17,19H,3-12H2,1-2H3.
What are the key properties of 6-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol?
6-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol has a molecular weight of 266.43 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-ol is sourced from PubChem (CID 177011023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).