1-(4-bromopiperidin-1-yl)-2-propan-2-yloxyethanone

C10H18BrNO2 — CID 112603986

IUPAC1-(4-bromopiperidin-1-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCC(Br)CC1
InChIInChI=1S/C10H18BrNO2/c1-8(2)14-7-10(13)12-5-3-9(11)4-6-12/h8-9H,3-7H2,1-2H3
InChIKeyKPJPLODHDAXXKY-UHFFFAOYSA-N
MW264.16 g/mol
LogP1.80
Rot. Bonds3

About 1-(4-bromopiperidin-1-yl)-2-propan-2-yloxyethanone

1-(4-bromopiperidin-1-yl)-2-propan-2-yloxyethanone (PubChem CID 112603986) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is 1-(4-bromopiperidin-1-yl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(4-bromopiperidin-1-yl)-2-propan-2-yloxyethanone
PubChem CID112603986
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC Name1-(4-bromopiperidin-1-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCC(Br)CC1
InChIInChI=1S/C10H18BrNO2/c1-8(2)14-7-10(13)12-5-3-9(11)4-6-12/h8-9H,3-7H2,1-2H3
InChIKeyKPJPLODHDAXXKY-UHFFFAOYSA-N
XLogP1.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701498
1-[4-(2-aminoethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112603420
1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 178115862
2-propan-2-yloxy-1-[4-(4-propan-2-yloxybutyl)piperidin-1-yl]ethanone
CID 167478681
1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 115593371
3-methyl-1-[4-[[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one
CID 172604985
3,3-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]butanamide
CID 170087380
1-(3-chloropiperidin-1-yl)-2-propan-2-yloxyethanone
CID 112603948
1-(4-ethylsulfonylpiperazin-1-yl)-2-propan-2-yloxyethanone
CID 46199859
2-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]acetic acid
CID 112602025
1-[4-[1-[1-(2-methylpropyl)azetidine-3-carbonyl]piperidin-4-yl]piperidin-1-yl]-2-propan-2-yloxyethanone
CID 164715642
2-[1-(2-propan-2-yloxyacetyl)azetidin-3-yl]propanoic acid
CID 116681516

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromopiperidin-1-yl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(4-bromopiperidin-1-yl)-2-propan-2-yloxyethanone (CID 112603986) is 1-(4-bromopiperidin-1-yl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(4-bromopiperidin-1-yl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(4-bromopiperidin-1-yl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)N1CCC(Br)CC1.
What is the InChIKey of 1-(4-bromopiperidin-1-yl)-2-propan-2-yloxyethanone?
The InChIKey is KPJPLODHDAXXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2/c1-8(2)14-7-10(13)12-5-3-9(11)4-6-12/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(4-bromopiperidin-1-yl)-2-propan-2-yloxyethanone?
1-(4-bromopiperidin-1-yl)-2-propan-2-yloxyethanone has a molecular weight of 264.16 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromopiperidin-1-yl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 112603986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).