2,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine

C14H28N2O — CID 117228778

IUPAC2,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine
SMILESCC1CNC(C)(CC2CCN(C(C)C)CC2)O1
InChIInChI=1S/C14H28N2O/c1-11(2)16-7-5-13(6-8-16)9-14(4)15-10-12(3)17-14/h11-13,15H,5-10H2,1-4H3
InChIKeyBNEWXZHKILCCLO-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.22
Rot. Bonds3

About 2,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine

2,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine (PubChem CID 117228778) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine.

Molecular Properties

Compound Name2,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine
PubChem CID117228778
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine
SMILESCC1CNC(C)(CC2CCN(C(C)C)CC2)O1
InChIInChI=1S/C14H28N2O/c1-11(2)16-7-5-13(6-8-16)9-14(4)15-10-12(3)17-14/h11-13,15H,5-10H2,1-4H3
InChIKeyBNEWXZHKILCCLO-UHFFFAOYSA-N
XLogP2.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine
CID 117228750
4-[(2,5-dimethyl-1,3-oxazolidin-2-yl)methyl]thiane 1,1-dioxide
CID 117228759
2,5-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine
CID 117228741
2,4,4-trimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride
CID 117227807
2,5-dimethyl-2-(thian-3-ylmethyl)-1,3-oxazolidine
CID 117228931
[2-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine
CID 117168727
2,4,4-trimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine;hydrochloride
CID 117227751
2-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-2-carboxylic acid
CID 115103561
[2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 115103198
1-propan-2-yl-4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]piperidine
CID 155892152
4-propan-2-yl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]cyclohexan-1-ol
CID 170951892
5,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazinane
CID 117226361

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine?
The IUPAC name of 2,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine (CID 117228778) is 2,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine.
What is the SMILES notation for 2,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine?
The canonical SMILES for 2,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine is CC1CNC(C)(CC2CCN(C(C)C)CC2)O1.
What is the InChIKey of 2,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine?
The InChIKey is BNEWXZHKILCCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)16-7-5-13(6-8-16)9-14(4)15-10-12(3)17-14/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 2,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine?
2,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine has a molecular weight of 240.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine is sourced from PubChem (CID 117228778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).