3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one

C14H26N2O2 — CID 63847448

IUPAC3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one
SMILESCC(C)CNCC1CCCN(C2CCOC2=O)C1
InChIInChI=1S/C14H26N2O2/c1-11(2)8-15-9-12-4-3-6-16(10-12)13-5-7-18-14(13)17/h11-13,15H,3-10H2,1-2H3
InChIKeyFJRFSXWZTPFOHW-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.26
Rot. Bonds5

About 3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one

3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one (PubChem CID 63847448) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one
PubChem CID63847448
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one
SMILESCC(C)CNCC1CCCN(C2CCOC2=O)C1
InChIInChI=1S/C14H26N2O2/c1-11(2)8-15-9-12-4-3-6-16(10-12)13-5-7-18-14(13)17/h11-13,15H,3-10H2,1-2H3
InChIKeyFJRFSXWZTPFOHW-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one?
The IUPAC name of 3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one (CID 63847448) is 3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one.
What is the SMILES notation for 3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one?
The canonical SMILES for 3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one is CC(C)CNCC1CCCN(C2CCOC2=O)C1.
What is the InChIKey of 3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one?
The InChIKey is FJRFSXWZTPFOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(2)8-15-9-12-4-3-6-16(10-12)13-5-7-18-14(13)17/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one?
3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one has a molecular weight of 254.37 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one is sourced from PubChem (CID 63847448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).