4-methyl-1-[(1-propan-2-ylpiperidin-2-yl)methoxy]pentan-3-one

C15H29NO2 — CID 167242279

IUPAC4-methyl-1-[(1-propan-2-ylpiperidin-2-yl)methoxy]pentan-3-one
SMILESCC(C)C(=O)CCOCC1CCCCN1C(C)C
InChIInChI=1S/C15H29NO2/c1-12(2)15(17)8-10-18-11-14-7-5-6-9-16(14)13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyMOYNQGUBLWNKNN-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.88
Rot. Bonds7

About 4-methyl-1-[(1-propan-2-ylpiperidin-2-yl)methoxy]pentan-3-one

4-methyl-1-[(1-propan-2-ylpiperidin-2-yl)methoxy]pentan-3-one (PubChem CID 167242279) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 4-methyl-1-[(1-propan-2-ylpiperidin-2-yl)methoxy]pentan-3-one.

Molecular Properties

Compound Name4-methyl-1-[(1-propan-2-ylpiperidin-2-yl)methoxy]pentan-3-one
PubChem CID167242279
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name4-methyl-1-[(1-propan-2-ylpiperidin-2-yl)methoxy]pentan-3-one
SMILESCC(C)C(=O)CCOCC1CCCCN1C(C)C
InChIInChI=1S/C15H29NO2/c1-12(2)15(17)8-10-18-11-14-7-5-6-9-16(14)13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyMOYNQGUBLWNKNN-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]hexanoic acid
CID 174164475
3-methyl-4-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one
CID 170366481
1-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one
CID 174163970
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl acetate
CID 164547816
1-(1-propan-2-ylpiperidin-2-yl)propan-2-one
CID 79537839
3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid
CID 170367402
4-methyl-1-(2-piperidin-1-ylethoxy)pentan-3-one
CID 176984393
(2S)-2-[(2S)-2-(methoxymethyl)piperidin-1-yl]propanoic acid
CID 129359564
methyl 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoate
CID 162750775
(2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine
CID 167138611
1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-one
CID 164547301
methyl (Z)-5-(1-propan-2-ylpiperidin-2-yl)pent-3-enoate
CID 117267758

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1-propan-2-ylpiperidin-2-yl)methoxy]pentan-3-one?
The IUPAC name of 4-methyl-1-[(1-propan-2-ylpiperidin-2-yl)methoxy]pentan-3-one (CID 167242279) is 4-methyl-1-[(1-propan-2-ylpiperidin-2-yl)methoxy]pentan-3-one.
What is the SMILES notation for 4-methyl-1-[(1-propan-2-ylpiperidin-2-yl)methoxy]pentan-3-one?
The canonical SMILES for 4-methyl-1-[(1-propan-2-ylpiperidin-2-yl)methoxy]pentan-3-one is CC(C)C(=O)CCOCC1CCCCN1C(C)C.
What is the InChIKey of 4-methyl-1-[(1-propan-2-ylpiperidin-2-yl)methoxy]pentan-3-one?
The InChIKey is MOYNQGUBLWNKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12(2)15(17)8-10-18-11-14-7-5-6-9-16(14)13(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of 4-methyl-1-[(1-propan-2-ylpiperidin-2-yl)methoxy]pentan-3-one?
4-methyl-1-[(1-propan-2-ylpiperidin-2-yl)methoxy]pentan-3-one has a molecular weight of 255.40 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1-propan-2-ylpiperidin-2-yl)methoxy]pentan-3-one is sourced from PubChem (CID 167242279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).