2-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diol

C24H50N2O4 — CID 139091090

IUPAC2-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diol
SMILESCC1(C)CCCC(C)(C)N1C(CO)CO.CC1(C)CCCC(C)(C)N1C(CO)CO
InChIInChI=1S/2C12H25NO2/c2*1-11(2)6-5-7-12(3,4)13(11)10(8-14)9-15/h2*10,14-15H,5-9H2,1-4H3
InChIKeyNOSAKBRZBXTNFY-UHFFFAOYSA-N
MW430.67 g/mol
LogP2.77
Rot. Bonds6

About 2-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diol

2-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diol (PubChem CID 139091090) has the molecular formula C24H50N2O4 and a molecular weight of 430.67 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diol.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diol
PubChem CID139091090
Molecular FormulaC24H50N2O4
Molecular Weight430.67 g/mol
Exact Mass430.38
IUPAC Name2-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diol
SMILESCC1(C)CCCC(C)(C)N1C(CO)CO.CC1(C)CCCC(C)(C)N1C(CO)CO
InChIInChI=1S/2C12H25NO2/c2*1-11(2)6-5-7-12(3,4)13(11)10(8-14)9-15/h2*10,14-15H,5-9H2,1-4H3
InChIKeyNOSAKBRZBXTNFY-UHFFFAOYSA-N
XLogP2.77
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.67
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2,2,7,7-tetramethyl-1-propan-2-ylazepane
CID 164739441
2,2,6,6-tetramethyl-N,N-di(propan-2-yl)piperidin-1-amine
CID 57218894
4-(2,2,6,6-tetramethylpiperidin-1-yl)octadecanoic acid
CID 135235524
1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 549976
1,4-bis(2,2,6,6-tetramethylpiperidin-1-yl)butane-1,4-dione
CID 90092167
2-[bis[carboxy-(2,2,6,6-tetramethylpiperidin-1-yl)methyl]amino]-2-(2,2,6,6-tetramethylpiperidin-1-yl)acetic acid
CID 141061575
1-ethyl-1-[2-(2,2,6,6-tetramethylpiperidin-1-yl)heptyl]hydrazine
CID 70412758
1,2,2,6,6-pentamethylpiperidine
CID 6603
1-(2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diamine
CID 54134757
1-[2-hydroxy-1-[(1-hydroxy-2,6,6-trimethylpiperidin-2-yl)methoxy]ethoxy]propan-2-ol
CID 178064876
CID 66782891
CID 66782891
3-amino-2-(3,3-dimethylpiperidin-1-yl)propan-1-ol
CID 104711025

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diol?
The IUPAC name of 2-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diol (CID 139091090) is 2-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diol.
What is the SMILES notation for 2-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diol?
The canonical SMILES for 2-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diol is CC1(C)CCCC(C)(C)N1C(CO)CO.CC1(C)CCCC(C)(C)N1C(CO)CO.
What is the InChIKey of 2-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diol?
The InChIKey is NOSAKBRZBXTNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H25NO2/c2*1-11(2)6-5-7-12(3,4)13(11)10(8-14)9-15/h2*10,14-15H,5-9H2,1-4H3.
What are the key properties of 2-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diol?
2-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diol has a molecular weight of 430.67 g/mol, XLogP of 2.77, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diol is sourced from PubChem (CID 139091090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).