(4-bromo-3-methylpiperidin-1-yl)-cyclopropylmethanone

C10H16BrNO — CID 114683325

IUPAC(4-bromo-3-methylpiperidin-1-yl)-cyclopropylmethanone
SMILESCC1CN(C(=O)C2CC2)CCC1Br
InChIInChI=1S/C10H16BrNO/c1-7-6-12(5-4-9(7)11)10(13)8-2-3-8/h7-9H,2-6H2,1H3
InChIKeySQIAQACWRBTJLJ-UHFFFAOYSA-N
MW246.15 g/mol
LogP2.03
Rot. Bonds1

About (4-bromo-3-methylpiperidin-1-yl)-cyclopropylmethanone

(4-bromo-3-methylpiperidin-1-yl)-cyclopropylmethanone (PubChem CID 114683325) has the molecular formula C10H16BrNO and a molecular weight of 246.15 g/mol. Its IUPAC name is (4-bromo-3-methylpiperidin-1-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(4-bromo-3-methylpiperidin-1-yl)-cyclopropylmethanone
PubChem CID114683325
Molecular FormulaC10H16BrNO
Molecular Weight246.15 g/mol
Exact Mass245.04
IUPAC Name(4-bromo-3-methylpiperidin-1-yl)-cyclopropylmethanone
SMILESCC1CN(C(=O)C2CC2)CCC1Br
InChIInChI=1S/C10H16BrNO/c1-7-6-12(5-4-9(7)11)10(13)8-2-3-8/h7-9H,2-6H2,1H3
InChIKeySQIAQACWRBTJLJ-UHFFFAOYSA-N
XLogP2.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone
CID 21061776
(4-chloro-3-methylpiperidin-1-yl)-cyclopropylmethanone
CID 114682955
(4-bromo-3-methylpiperidin-1-yl)-(thiolan-2-yl)methanone
CID 114683554
(4-amino-3-methylpiperidin-1-yl)-cyclobutylmethanone
CID 79867706
(4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone
CID 79868589
[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]oxidanium
CID 163257511
3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103551239
(4-chloro-3-methylpiperidin-1-yl)-cyclooctylmethanone
CID 114683217
(4-bromo-3-methylpiperidin-1-yl)-(3,5-dihydroxyphenyl)methanone
CID 107706197
1-(4-bromo-3-methylpiperidin-1-yl)-4,4,4-trifluorobutan-1-one
CID 114683535
cyclopropyl-[(1R,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 97181337
(3-chloro-4-methylpiperidin-1-yl)-cyclobutylmethanone
CID 102961823

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-methylpiperidin-1-yl)-cyclopropylmethanone?
The IUPAC name of (4-bromo-3-methylpiperidin-1-yl)-cyclopropylmethanone (CID 114683325) is (4-bromo-3-methylpiperidin-1-yl)-cyclopropylmethanone.
What is the SMILES notation for (4-bromo-3-methylpiperidin-1-yl)-cyclopropylmethanone?
The canonical SMILES for (4-bromo-3-methylpiperidin-1-yl)-cyclopropylmethanone is CC1CN(C(=O)C2CC2)CCC1Br.
What is the InChIKey of (4-bromo-3-methylpiperidin-1-yl)-cyclopropylmethanone?
The InChIKey is SQIAQACWRBTJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO/c1-7-6-12(5-4-9(7)11)10(13)8-2-3-8/h7-9H,2-6H2,1H3.
What are the key properties of (4-bromo-3-methylpiperidin-1-yl)-cyclopropylmethanone?
(4-bromo-3-methylpiperidin-1-yl)-cyclopropylmethanone has a molecular weight of 246.15 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-methylpiperidin-1-yl)-cyclopropylmethanone is sourced from PubChem (CID 114683325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).