4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]piperidin-4-ol

C12H23N3O — CID 162742269

IUPAC4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]piperidin-4-ol
SMILESCN1CC2(C1)CN(CC1(O)CCNCC1)C2
InChIInChI=1S/C12H23N3O/c1-14-6-11(7-14)8-15(9-11)10-12(16)2-4-13-5-3-12/h13,16H,2-10H2,1H3
InChIKeyZHQJOPXKAJBKAY-UHFFFAOYSA-N
MW225.34 g/mol
LogP-0.65
Rot. Bonds2

About 4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]piperidin-4-ol

4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]piperidin-4-ol (PubChem CID 162742269) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]piperidin-4-ol
PubChem CID162742269
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]piperidin-4-ol
SMILESCN1CC2(C1)CN(CC1(O)CCNCC1)C2
InChIInChI=1S/C12H23N3O/c1-14-6-11(7-14)8-15(9-11)10-12(16)2-4-13-5-3-12/h13,16H,2-10H2,1H3
InChIKeyZHQJOPXKAJBKAY-UHFFFAOYSA-N
XLogP-0.65
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]piperidin-4-ol (CID 162742269) is 4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]piperidin-4-ol is CN1CC2(C1)CN(CC1(O)CCNCC1)C2.
What is the InChIKey of 4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]piperidin-4-ol?
The InChIKey is ZHQJOPXKAJBKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-14-6-11(7-14)8-15(9-11)10-12(16)2-4-13-5-3-12/h13,16H,2-10H2,1H3.
What are the key properties of 4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]piperidin-4-ol?
4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]piperidin-4-ol has a molecular weight of 225.34 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 162742269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).