2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-one

C12H23NO2 — CID 106587759

IUPAC2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-one
SMILESCCC(=O)C(C)N1CCCC(COC)C1
InChIInChI=1S/C12H23NO2/c1-4-12(14)10(2)13-7-5-6-11(8-13)9-15-3/h10-11H,4-9H2,1-3H3
InChIKeyHKXNOKCRJLKMSN-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.71
Rot. Bonds5

About 2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-one

2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-one (PubChem CID 106587759) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-one.

Molecular Properties

Compound Name2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-one
PubChem CID106587759
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-one
SMILESCCC(=O)C(C)N1CCCC(COC)C1
InChIInChI=1S/C12H23NO2/c1-4-12(14)10(2)13-7-5-6-11(8-13)9-15-3/h10-11H,4-9H2,1-3H3
InChIKeyHKXNOKCRJLKMSN-UHFFFAOYSA-N
XLogP1.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid
CID 129413747
methanol;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 172576332
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167395488
(2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid
CID 129414278
1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 106587711
2-(2-methyl-1,4-oxazepan-4-yl)pentan-3-one
CID 64866930
2-(3-methoxy-4-methylpiperidin-1-yl)pentan-3-one
CID 102960462
ethyl 2-[3-(3-ethoxy-3-oxopropyl)piperidin-1-yl]propanoate
CID 70373350
3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propanehydrazide
CID 106589687
N-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide
CID 106586020
4-amino-N,N-diethyl-3-[3-(methoxymethyl)piperidin-1-yl]butanamide
CID 106586452
N-ethyl-2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-amine
CID 106586663

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-one?
The IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-one (CID 106587759) is 2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-one.
What is the SMILES notation for 2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-one?
The canonical SMILES for 2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-one is CCC(=O)C(C)N1CCCC(COC)C1.
What is the InChIKey of 2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-one?
The InChIKey is HKXNOKCRJLKMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-12(14)10(2)13-7-5-6-11(8-13)9-15-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-one?
2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-one has a molecular weight of 213.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-one is sourced from PubChem (CID 106587759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).