2,4,4-trimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride

C15H31ClN2O — CID 117227807

IUPAC2,4,4-trimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride
SMILESCC(C)N1CCC(CC2(C)NC(C)(C)CO2)CC1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-12(2)17-8-6-13(7-9-17)10-15(5)16-14(3,4)11-18-15;/h12-13,16H,6-11H2,1-5H3;1H
InChIKeyMKMAFANLIIKLTQ-UHFFFAOYSA-N
MW290.88 g/mol
LogP3.03
Rot. Bonds3

About 2,4,4-trimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride

2,4,4-trimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride (PubChem CID 117227807) has the molecular formula C15H31ClN2O and a molecular weight of 290.88 g/mol. Its IUPAC name is 2,4,4-trimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name2,4,4-trimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride
PubChem CID117227807
Molecular FormulaC15H31ClN2O
Molecular Weight290.88 g/mol
Exact Mass290.21
IUPAC Name2,4,4-trimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride
SMILESCC(C)N1CCC(CC2(C)NC(C)(C)CO2)CC1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-12(2)17-8-6-13(7-9-17)10-15(5)16-14(3,4)11-18-15;/h12-13,16H,6-11H2,1-5H3;1H
InChIKeyMKMAFANLIIKLTQ-UHFFFAOYSA-N
XLogP3.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.88
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride?
The IUPAC name of 2,4,4-trimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride (CID 117227807) is 2,4,4-trimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 2,4,4-trimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 2,4,4-trimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride is CC(C)N1CCC(CC2(C)NC(C)(C)CO2)CC1.Cl.
What is the InChIKey of 2,4,4-trimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride?
The InChIKey is MKMAFANLIIKLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O.ClH/c1-12(2)17-8-6-13(7-9-17)10-15(5)16-14(3,4)11-18-15;/h12-13,16H,6-11H2,1-5H3;1H.
What are the key properties of 2,4,4-trimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride?
2,4,4-trimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride has a molecular weight of 290.88 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117227807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).