2-[2-methyl-2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]ethanol

C12H23NO3 — CID 117168650

IUPAC2-[2-methyl-2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]ethanol
SMILESCC1(CC2CCNCC2)OCC(CCO)O1
InChIInChI=1S/C12H23NO3/c1-12(8-10-2-5-13-6-3-10)15-9-11(16-12)4-7-14/h10-11,13-14H,2-9H2,1H3
InChIKeyGHOYJCKUCFIERE-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.89
Rot. Bonds4

About 2-[2-methyl-2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]ethanol

2-[2-methyl-2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]ethanol (PubChem CID 117168650) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[2-methyl-2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-methyl-2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]ethanol
PubChem CID117168650
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-[2-methyl-2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]ethanol
SMILESCC1(CC2CCNCC2)OCC(CCO)O1
InChIInChI=1S/C12H23NO3/c1-12(8-10-2-5-13-6-3-10)15-9-11(16-12)4-7-14/h10-11,13-14H,2-9H2,1H3
InChIKeyGHOYJCKUCFIERE-UHFFFAOYSA-N
XLogP0.89
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methyl-2-(oxolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol
CID 117168537
2-[2-methyl-2-(piperidin-2-ylmethyl)-1,3-dioxolan-4-yl]ethanol
CID 117169140
[2-methyl-2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 117169312
2-[2-methyl-2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanol
CID 117169125
2-[[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol
CID 117169568
2-[2-[(4-chlorophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol
CID 117169652
[(4S)-2-(chloromethyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 71445983
2-[2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol
CID 117169661
[2-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine
CID 117168727
3-[2-methyl-2-(thian-3-ylmethyl)-1,3-dioxolan-4-yl]propanoic acid
CID 117169295
2-[2-methyl-2-[(3-methylphenyl)methyl]-1,3-dioxolan-4-yl]ethanol
CID 117169452
4-[(1-methylcyclopropyl)methyl]piperidine
CID 67123007

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 2-[2-methyl-2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]ethanol (CID 117168650) is 2-[2-methyl-2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 2-[2-methyl-2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 2-[2-methyl-2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]ethanol is CC1(CC2CCNCC2)OCC(CCO)O1.
What is the InChIKey of 2-[2-methyl-2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]ethanol?
The InChIKey is GHOYJCKUCFIERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(8-10-2-5-13-6-3-10)15-9-11(16-12)4-7-14/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 2-[2-methyl-2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]ethanol?
2-[2-methyl-2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]ethanol has a molecular weight of 229.32 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 117168650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).